SCHEMBL4064040

SCHEMBL4064040

CCC(C)c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.44
PSEN2 P49810 5/20 0.44
APH1B Q8WW43 5/20 0.44
NCSTN Q92542 5/20 0.44
APH1A Q96BI3 5/20 0.44
PSENEN Q9NZ42 5/20 0.44
TSHR P16473 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RORC P51449 1/20 0.38
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PKM P14618 1/20 0.36
SCN1A P35498 3/20 0.34
SCN5A Q14524 3/20 0.34
SCN8A Q9UQD0 3/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10247809 1.00 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18885183 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25974967 0.83 MC4R (0.41) TSHRCES2CES1RORCPKM
SCHEMBL12686634 0.83 MC4R (0.41) TSHRCES2CES1RORCPKM
SCHEMBL12686652 0.83 MC4R (0.41) TSHRCES2CES1RORCPKM
SCHEMBL19620840 0.82 SLC6A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12172686 0.82 TSHR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18885180 0.82 RORC (0.58) TSHRRORCCA3CA6CA5A
SCHEMBL22271746 0.82 TSHR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26081489 0.82 TSHR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-07-13 US disclosed
US-20210139479-A1 COMT Inhibiting Methods and Compositions LIEBER INST INC (US) 2021-05-13 US disclosed
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-03-04 US disclosed
US-10934283-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE, INC. (US) 2021-03-02 US disclosed
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORPORATION 2020-12-24 US disclosed
EP-3162801-B1 SALT OF HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2020-07-22 EP disclosed
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2020-07-02 US disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
US-10611740-B2 Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2020-04-07 US disclosed
US-10597375-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2020-03-24 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
EP-1439157-B1 Method for producing Suzuki coupling compound catalysed by a nickel compound SUMITOMO CHEMICAL CO (JP) 2007-07-11 EP disclosed
US-7238832-B2 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-03 US disclosed
US-7217677-B2 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-15 US disclosed
US-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-12-14 US disclosed
EP-1449580-B1 Production method of a cross-coupling compound from an alkyl halide and an organoboron compound SUMITOMO CHEMICAL CO (JP) 2005-12-28 EP disclosed
US-20040167364-A1 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US disclosed
EP-1449580-A1 Production method of a cross-coupling compound from an alkyl halide and an organoboron compound Sumitomo Chemical Co.,Ltd. (JP) 2004-08-25 EP disclosed
US-20040161404-A1 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-19 US disclosed
EP-1439157-A2 Method for producing Suzuki coupling compound catalysed by a nickel compound Sumitomo Chemical Co.,Ltd. (JP) 2004-07-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORA, RORC, RORB PSEN1 1936/4885PSEN2 2125/4885APH1B 3042/4885
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC PSEN1 928/4885PSEN2 1612/4885APH1B 1737/4885
US-10611740-B2 Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC PSEN1 1181/4885PSEN2 1899/4885APH1B 2025/4885
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 PSEN1 2978/4885PSEN2 3296/4885APH1B 2699/4885
US-20040167364-A1 Production method of a coupling compound PYM1, BRIX1, CXCR1 PSEN1 2451/4885PSEN2 2180/4885APH1B 3028/4885
US-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT PSEN1 157/4885PSEN2 138/4885APH1B 918/4885
US-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND RPL22, CYP4A22, PYM1 PSEN1 2264/4885PSEN2 1010/4885APH1B 2820/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PSEN1 2580/4885PSEN2 3214/4885APH1B 1096/4885
US-10597375-B2 Halogen-substituted heterocyclic compound LPAR3, LPAR1, LPAR2 PSEN1 4737/4885PSEN2 4758/4885APH1B 2774/4885
US-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA PSEN1 399/4885PSEN2 223/4885APH1B 1548/4885
US-20040161404-A1 Method for producing coupling compound PYM1, MALT1, BET1 PSEN1 2599/4885PSEN2 2467/4885APH1B 2362/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 PSEN1 2978/4885PSEN2 3296/4885APH1B 2699/4885
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORB, RORA, RORC PSEN1 1226/4885PSEN2 1848/4885APH1B 2169/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.