Sugi Predict

Sugi Predict / Compounds / SCHEMBL17280550

SCHEMBL17280550

SCHEMBL17280550

CC(C)c1cc(F)ccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ RECQL P46063 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21859750 0.83 PTGS1 (0.37) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL4554167 0.83 SLC6A2 (0.38) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL22236878 0.83 PTGS1 (0.37) PTGS1PTGS2RECQLHRH4PSEN1
SCHEMBL25696435 0.81 PTGS1 (0.33) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL18176646 0.77 ALDH1A1 (0.54) PTGS1CYP1A2SLC6A2KDM4EALDH1A1
SCHEMBL11436387 0.77 TRPA1 (0.47) PTGS1PTGS2CYP1A2CYP2A6SLC6A2
SCHEMBL21032600 0.76 PDE2A (0.44) KCNH2SLC6A4HTR2ACES2ALDH1A1
SCHEMBL11999126 0.75 GABRA1 (0.43) CYP2A6KCNH2KDM4EALDH1A1MAPT
SCHEMBL26885040 0.75 ANPEP (0.36) CYP1A2KDM4EALDH1A1MAPTALOX15
SCHEMBL13403327 0.75 PTGS1 (0.42) PTGS1PTGS2CYP1A2CYP2A6KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 — — EP disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 — — US disclosed
US-10905684-B2 Aminoamide compounds BIOTHERYX, INC. (US) 2021-02-02 — — US disclosed
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2020-09-17 — — US disclosed
US-10759807-B2 Diaryl substituted 5,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-09-01 — — US disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 — — US disclosed
US-20190194208-A1 DIARYL SUBSTITUTED 5,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 — — US disclosed
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 — — US disclosed
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 — — US disclosed
US-9718822-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-08-01 — — US disclosed
US-20170114059-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-27 — — US disclosed
US-20170112842-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-27 — — US disclosed
US-9493476-B2 Macrocyclic compounds as trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2016-11-15 — — US disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 — — US disclosed
US-20150336970-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-11-26 — — 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 (12 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-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 PTGS1 3121/4885PTGS2 3317/4885RECQL 1804/4885
US-10905684-B2 Aminoamide compounds DNPEP, BCAT2, AADAT PTGS1 1316/4885PTGS2 1417/4885RECQL 1456/4885
US-20150336970-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 PTGS1 2856/4885PTGS2 2998/4885RECQL 1926/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 PTGS1 3683/4885PTGS2 4229/4885RECQL 843/4885
US-10759807-B2 Diaryl substituted 5,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 PTGS1 915/4885PTGS2 1473/4885RECQL 1941/4885
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 PTGS1 1510/4885PTGS2 2482/4885RECQL 78/4885
US-20190194208-A1 DIARYL SUBSTITUTED 5,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 PTGS1 915/4885PTGS2 1473/4885RECQL 1941/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 PTGS1 738/4885PTGS2 1278/4885RECQL 2318/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 PTGS1 738/4885PTGS2 1278/4885RECQL 2318/4885
US-20170114059-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 PTGS1 3121/4885PTGS2 3317/4885RECQL 1804/4885
US-20170112842-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 PTGS1 3121/4885PTGS2 3317/4885RECQL 1804/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 PTGS1 1510/4885PTGS2 2482/4885RECQL 78/4885

“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.