SCHEMBL20993262

SCHEMBL20993262

CC(S)c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.46
PSEN2 P49810 6/20 0.46
APH1B Q8WW43 6/20 0.46
NCSTN Q92542 6/20 0.46
APH1A Q96BI3 6/20 0.46
PSENEN Q9NZ42 6/20 0.46
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33

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
SCHEMBL25947213 0.82 CES2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18948896 0.82 CES2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL423296 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16105638 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22303592 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16960712 0.77 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18588971 0.77 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19203758 0.77 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1601682 0.77 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL265533 0.77 CES2 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273143-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Dalian WZ Probiotics AD Health Co., Ltd (CN) 2023-11-08 EP disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
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-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-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-20190135768-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 2019-05-09 US 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 (5 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 PSEN1 2602/4885PSEN2 3551/4885APH1B 434/4885
US-20190135768-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 1254/4885PSEN2 1601/4885APH1B 2057/4885
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-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.