SCHEMBL493416

SCHEMBL493416

Cc1ccc(F)cc1-c1noc(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
S1PR1 P21453 2/20 0.43
SLC9A1 P19634 1/20 0.40
RARB P10826 9/20 0.40
RARA P10276 8/20 0.40
RARG P13631 8/20 0.40
ABL1 P00519 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL493104 0.82 POLB (0.46) ABL1
SCHEMBL16856594 0.79 L3MBTL1 (0.47) S1PR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL4798828 0.75 TPH1 (0.50) NPC1RAB9AGAASMN1; SMN2
SCHEMBL20911215 0.74 NPC1 (0.48) NR1H4S1PR1RARBRARARARG
SCHEMBL4798574 0.74 TP53 (0.51) NPC1RAB9A
SCHEMBL493675 0.74 ALDH1A1 (0.64) S1PR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL5606878 0.73 NPC1 (0.41) S1PR1NPC1RAB9ASMN1; SMN2
SCHEMBL493446 0.72 ALDH1A1 (0.47) NR1H4RARBRARARARG
SCHEMBL18748548 0.72 MAPK14 (0.55) NR1H4S1PR1RARBRARARARG
SCHEMBL15464553 0.71 NPC1 (0.42) NR1H4RARBRARARARGNPC1

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-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (1 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD NR1H4 348/4885S1PR1 2709/4885SLC9A1 2693/4885

“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.