SCHEMBL6802805

SCHEMBL6802805

CC(=O)c1cc(Cl)sc1Oc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 4/20 0.38
SCN5A Q14524 3/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HPGD P15428 1/20 0.36
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MAOB P27338 3/20 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
SCHEMBL6802820 0.87 KMT2A (0.43) RAB9AMAPK1HTTNPC1MAPT
SCHEMBL6803041 0.83 RAB9A (0.48) RAB9AMAPK1HTTNPC1MAPT
SCHEMBL6809060 0.77 MAPK14 (0.42) MAPK1MAPTSCN9ASCN5AHPGD
SCHEMBL6803640 0.76 MAPK1 (0.42) RAB9AMAPK1HTTMAPTSCN9A
SCHEMBL8079069 0.75 HPGD (0.38) MAPK1HTTMAPTSMN1; SMN2HPGD
SCHEMBL6800391 0.74 HPGD (0.43) RAB9AHTTNPC1MAPTSMN1; SMN2
SCHEMBL364307 0.68 CES2 (0.68) RAB9ANPC1CES2CES1MAOB
SCHEMBL29766689 0.68 CES2 (0.68) RAB9ANPC1CES2CES1MAOB
SCHEMBL9487857 0.67 CA3 (0.46) CES2CES1KMT2A
SCHEMBL5364842 0.67 CCR2 (0.50) HPGDSCN8ASCN10A

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.