SCHEMBL4906065

SCHEMBL4906065

CC(C)(C)c1ccc(-c2nc(CCO)co2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NOTUM Q6P988 1/20 0.38
GFER P55789 1/20 0.37
KLF5 Q13887 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
SCHEMBL4908635 0.85 RAB9A (0.43) IKBKBNR1H4PPARGPPARARAB9A
SCHEMBL4905721 0.85 PPARG (0.49) IKBKBPPARGPPARAKDM4ELMNA
SCHEMBL5229185 0.83 HDAC1 (0.48) PPARGPPARA
SCHEMBL5782311 0.81 NPC1 (0.41) IKBKBRAB9ANPC1KDM4ETP53
SCHEMBL6975571 0.80 HDAC1 (0.49) NR1H4RAB9ANPC1KDM4ELMNA
SCHEMBL27682910 0.80 DRD2 (0.49) PPARGPPARARAB9ANPC1KDM4E
SCHEMBL5106193 0.79 DRD2 (0.51) PPARGPPARALMNATSHRNOTUM
SCHEMBL22147197 0.77 IKBKB (0.43) IKBKBNR1H4RAB9ANPC1KDM4E
SCHEMBL1929209 0.77 CA1 (0.44)
SCHEMBL3592014 0.75 PTGS2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IKBKB 910/4885NR1H4 20/4885PPARG 2/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD IKBKB 1027/4885NR1H4 21/4885PPARG 2/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD IKBKB 1027/4885NR1H4 21/4885PPARG 2/4885

“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.