SCHEMBL5521998

SCHEMBL5521998

CC(C)(C)c1nc(Cc2cccc(F)c2)c(C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
PDE10A Q9Y233 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRPM8 Q7Z2W7 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM4 P08173 1/20 0.39
RIPK1 Q13546 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL5528442 0.86 NR1H4 (0.43) SMN1; SMN2RAB9A
SCHEMBL5528655 0.86 ALDH1A1 (0.53) MAPTGPR52SMN1; SMN2NPC1RAB9A
SCHEMBL5527532 0.86 SMN1; SMN2 (0.48) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5522180 0.85 HCAR2 (0.46) HCAR2SMN1; SMN2RAB9AALDH1A1CHRM4
SCHEMBL5522721 0.85 TRPM8 (0.53) MAPTSMN1; SMN2NPC1RAB9ATRPM8
SCHEMBL5524260 0.85 PPARA (0.40) MAPTL3MBTL1SMN1; SMN2RAB9ATRPM8
SCHEMBL5520198 0.84 RXFP1 (0.45) MAPTGPR52RAB9AALDH1A1
SCHEMBL5522334 0.84 SMN1; SMN2 (0.39) GPR52SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5527609 0.84 CACNA1G (0.38) SMN1; SMN2NPC1RAB9AALDH1A1CHRM4
SCHEMBL5524844 0.84 CHRM4 (0.39) SMN1; SMN2ALDH1A1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 HCAR2 878/4885MAPT 2190/4885L3MBTL1 4872/4885

“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.