SCHEMBL6803041

SCHEMBL6803041

CC(=O)c1cc(Cl)sc1Oc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RY14 Q15391 1/20 0.39
ESR1 P03372 3/20 0.39
HPGD P15428 2/20 0.38
S1PR2 O95136 1/20 0.38
BRAF P15056 1/20 0.38
HDAC1 Q13547 1/20 0.38
KCNH2 Q12809 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL6803640 0.92 MAPK1 (0.42) RAB9AMAPK1HTTCYP1A2CYP2C9
SCHEMBL6800391 0.85 HPGD (0.43) RAB9AHTTMAOBMAPTNPC1
SCHEMBL6802805 0.83 RAB9A (0.43) RAB9AMAPK1HTTCYP2C9MAOB
SCHEMBL6802820 0.81 KMT2A (0.43) RAB9AMAPK1HTTMAPTNPC1
SCHEMBL6801883 0.76 MAPK14 (0.46) MAPK1CYP1A2CYP2C9CYP2C19MAOB
SCHEMBL19524135 0.72 SCN8A (0.58) MAOBMAOASMN1; SMN2KCNH2SCN8A
SCHEMBL7847622 0.72 MAPK14 (0.42) MAPK1CYP1A2CYP2C9CYP2C19MAPT
Hydrochloric Acid SCHEMBL6803745 0.71 MAPK14 (0.41) MAPK1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL6149918 0.70 MAOB (0.66) RAB9AMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL9368064 0.70 MAOB (0.50) RAB9ACYP1A2CYP2C9CYP2C19MAOB

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 RAB9A 3625/4885MAPK1 1354/4885HTT 3261/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 RAB9A 4094/4885MAPK1 1409/4885HTT 2168/4885

“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.