SCHEMBL6799263

SCHEMBL6799263

CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)sc(Cl)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
AHR P35869 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
GRM6 O15303 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
BACE1 P56817 1/20 0.35
DHODH Q02127 1/20 0.35
CISD2 Q8N5K1 1/20 0.35
KIF11 P52732 3/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL6801615 0.84 GRM6 (0.44) ESR1NPC1ALDH1A1GAAGRM6
SCHEMBL6803591 0.83 RAB9A (0.45) NPC1ALDH1A1GRM6MAPTKDM4E
SCHEMBL6809510 0.81 CSNK1A1 (0.50) ALDH1A1GRM6MAPTKDM4EMEN1
SCHEMBL7844049 0.81 KIF11 (0.47) ESR1NPC1ALDH1A1GAAMAPT
SCHEMBL6803372 0.80 GRM6 (0.55) NPC1ALDH1A1GAAGRM6MAPT
Hydrochloric Acid SCHEMBL6803318 0.80 KIF11 (0.46) ESR1NPC1ALDH1A1GAAMAPT
SCHEMBL6803007 0.78 NPC1 (0.44) NPC1ALDH1A1GRM6KDM4EMEN1
SCHEMBL6804488 0.78 GRM6 (0.48) NPC1ALDH1A1GAAGRM6MAPT
SCHEMBL6804497 0.74 BRD4 (0.51) ALDH1A1GRM6MAPTKDM4EMEN1
SCHEMBL27945470 0.72 ALDH1A1 (0.45) ESR1NPC1ALDH1A1GAAMAPT

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
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 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 (2 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR ESR1 935/4885AHR 65/4885NPC1 2985/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 ESR1 997/4885AHR 26/4885NPC1 2571/4885

“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.