SCHEMBL4490577

SCHEMBL4490577

CC(C)(C)OC(=O)CNc1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.60
PPARA Q07869 3/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
FFAR1 O14842 2/20 0.45
MITF O75030 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CASR P41180 1/20 0.43

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
SCHEMBL11088028 0.89 AKR1C3 (0.47) AKR1C3PPARAHIF1AEPAS1RAB9A
SCHEMBL15057284 0.89 HPGD (0.48) AKR1C3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7429994 0.87 CASR (0.52) AKR1C3HIF1ANPC1RAB9AALDH1A1
SCHEMBL4485291 0.87 PARP14 (0.47) AKR1C3MEN1KMT2ACA12CA2
SCHEMBL11093055 0.84 AKR1C3 (0.43) AKR1C3PPARAHIF1AEPAS1ALDH1A1
SCHEMBL11093059 0.84 AKR1C3 (0.43) AKR1C3PPARAHIF1AEPAS1ALDH1A1
SCHEMBL24077532 0.84 ALDH1A1 (0.53) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL303932 0.83 PKM (0.46) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL12121617 0.82 MAPT (0.55) ALDH1A1POLBMEN1KMT2A
SCHEMBL3763507 0.82 VSIR (0.53) RAB9AALDH1A1MEN1KMT2ACA12

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-7576105-B2 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICA, NV (BE) 2009-08-18 US disclosed
US-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives BAXTER ELLEN W 2006-05-18 US disclosed
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICALS N.V. (BE) 2004-04-29 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 (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-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 AKR1C3 3520/4885PPARA 235/4885HIF1A 1322/4885
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 AKR1C3 3520/4885PPARA 235/4885HIF1A 1322/4885

“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.