SCHEMBL13107429

SCHEMBL13107429

OBc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.43
▸ CES1 P23141 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NFE2L2 Q16236 2/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ AGXT P21549 2/20 0.34
▸ GRIN2D O15399 2/20 0.34
▸ GRIN3B O60391 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN2C Q14957 2/20 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
SCHEMBL13863241 0.80 CA9 (0.48) CES2CES1ALDH1A1CA3CA6
SCHEMBL12330287 0.78 ESR2 (0.53) CA9
SCHEMBL7097753 0.76 PPARG (0.38) ALDH1A1TDP1ALOX12KMT2A
SCHEMBL14140533 0.76 NFE2L2 (0.36) ALDH1A1TDP1NFE2L2CYP1A2CYP2A6
SCHEMBL17366292 0.76 MAP2K2 (0.33) —
SCHEMBL14566097 0.75 ALDH1A1 (0.42) CES2CES1ALDH1A1CA3CA6
SCHEMBL20139015 0.74 CA3 (0.52) CES2CES1ALDH1A1CA3CA6
SCHEMBL25599762 0.73 CA3 (0.46) CES2CES1ALDH1A1CA3CA6
SCHEMBL15702941 0.73 CA3 (0.32) CA3CA6CA5ACA9CA14
SCHEMBL21731047 0.72 KDM4E (0.39) CA9CA14NFE2L2HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 — — EP disclosed
EP-3985005-A1 FUSED RING COMPOUND AS FGFR AND VEGFR DUAL INHIBITOR Medshine Discovery Inc. (CN) 2022-04-20 — — EP disclosed
EP-3664802-B1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE ALKERMES INC (US) 2022-02-23 — — EP disclosed
EP-3568135-B1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE ALKERMES INC (US) 2021-04-07 — — EP disclosed
WO-2021018047-A1 PYRIDINE DERIVATIVE AS FGFR AND VEGFR DUAL INHIBITORS 南京明德新药研发有限公司 2021-02-04 — — WO disclosed
WO-2020249096-A1 FUSED RING COMPOUND AS FGFR AND VEGFR DUAL INHIBITOR 南京明德新药研发有限公司 2020-12-17 — — WO disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 — — EP disclosed
WO-2019032528-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC (US) 2019-02-14 — — WO disclosed
WO-2018132533-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2018-07-19 — — WO disclosed
WO-2018132531-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2018-07-19 — — WO disclosed
US-8329897-B2 Synthesis of inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2012-12-11 — — US disclosed
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2010-10-07 — — US disclosed
US-7575817-B2 Cyclometalated transition metal complex and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-08-18 — — US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 — — 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 (1 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-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD11B2, HSD17B1 CES2 814/4885CES1 44/4885ALDH1A1 399/4885

“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.

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