SCHEMBL2662890

SCHEMBL2662890

CC(C)(C)c1cccc2c1OC(F)(F)O2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 1/20 0.32
MPO P05164 1/20 0.32
ADORA2A P29274 1/20 0.31
GPR3 P46089 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL19139129 0.86 IDO1 (0.31) IDO1MPO
SCHEMBL13765704 0.85 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL15470997 0.84 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL14417244 0.83 IDO1 (0.34) IDO1MPOFFAR4
SCHEMBL15470991 0.81 CA2 (0.34) CA2GABRA1GABRB2
SCHEMBL24656870 0.80 IDO1 (0.33) IDO1MPO
SCHEMBL13058897 0.80 CA2 (0.31) CA2ALDH1A1TSHRTDP1
SCHEMBL12109016 0.79 ALDH1A1 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25541853 0.78 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL26762106 0.76 ADORA2A (0.33) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NATIONAL TAIWAN UNIVERSITY (TW) 2023-10-19 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
US-7256218-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2007-08-14 US disclosed
US-7256218-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2007-08-14 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 US disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CA2 3976/4885GABRA1 4260/4885GABRB2 4164/4885
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP CA2 2358/4885GABRA1 2822/4885GABRB2 1102/4885
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A CA2 4755/4885GABRA1 381/4885GABRB2 322/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CA2 3976/4885GABRA1 4260/4885GABRB2 4164/4885
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FASN, NAAA, FPR3 CA2 2709/4885GABRA1 748/4885GABRB2 991/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS CA2 3236/4885GABRA1 3460/4885GABRB2 3188/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA2 4029/4885GABRA1 764/4885GABRB2 482/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CA2 1729/4885GABRA1 3618/4885GABRB2 3997/4885
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 CA2 1531/4885GABRA1 1162/4885GABRB2 1804/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CA2 1766/4885GABRA1 514/4885GABRB2 1113/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 CA2 535/4885GABRA1 576/4885GABRB2 172/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA2 4029/4885GABRA1 764/4885GABRB2 482/4885

“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.