SCHEMBL4905908

SCHEMBL4905908

NCCc1coc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
KIF11 P52732 2/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
IKBKB O14920 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
NOTUM Q6P988 1/20 0.38
SIRT2 Q8IXJ6 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
SCHEMBL4905721 0.85 PPARG (0.49) PPARGPPARAKIF11S1PR1S1PR3
SCHEMBL4908635 0.85 RAB9A (0.43) MAOBPPARGPPARAKIF11S1PR1
SCHEMBL2222314 0.83 LMNA (0.50) MAOBTAAR1S1PR1S1PR3LMNA
SCHEMBL5901540 0.81 PPARG (0.46) PPARGPPARAKIF11S1PR1S1PR3
SCHEMBL6476484 0.81 PPARG (0.43) PPARGPPARAKIF11S1PR1S1PR3
SCHEMBL1052608 0.81 PPARG (0.43) MAOBPPARGPPARAKIF11S1PR1
SCHEMBL27740946 0.80 PPARG (0.44) PPARGPPARAKIF11S1PR1S1PR3
SCHEMBL14672185 0.80 HDAC1 (0.44) PPARGPPARATAAR1NOTUM
SCHEMBL2225047 0.80 HDAC1 (0.45) TAAR1LMNA
SCHEMBL2225521 0.80 NPC1 (0.51) MAOBTAAR1S1PR1S1PR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287718-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2008-10-15 CN disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (3 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD MAOB 4126/4885PPARG 2/4885PPARA 1/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD MAOB 4263/4885PPARG 2/4885PPARA 1/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD MAOB 4263/4885PPARG 2/4885PPARA 1/4885

“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.