SCHEMBL5525575

SCHEMBL5525575

CC(C)(C)c1nc(-c2cccc(F)c2)c(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
TRPM8 Q7Z2W7 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
LHCGR P22888 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.42
KMO O15229 1/20 0.42
PIN1 Q13526 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A2 O94788 1/20 0.41

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
SCHEMBL5528446 0.85 RXRA (0.50) SMN1; SMN2LMNAKMOALDH1A1
SCHEMBL5525381 0.84 CDC7 (0.54) SMN1; SMN2LMNAPTGDR2ALDH1A1PTGS2
SCHEMBL5522187 0.84 TRPV1 (0.48) TRPV1TRPM8SMN1; SMN2KMOPIN1
SCHEMBL5522085 0.83 PTGS2 (0.56) SMN1; SMN2PTGDR2ALDH1A1PTGS2
SCHEMBL1338860 0.82 TRPM8 (0.49) TRPM8SMN1; SMN2LMNAPTGDR2KMO
SCHEMBL5528299 0.82 CDC7 (0.51) SMN1; SMN2LMNAPTGDR2ALDH1A1PTGS2
SCHEMBL14705596 0.81 PTGDR2 (0.48) TRPM8SMN1; SMN2LMNAPTGDR2KMO
SCHEMBL5524362 0.80 CA12 (0.44) SMN1; SMN2
SCHEMBL5520109 0.80 KMO (0.44) TRPV1SMN1; SMN2KMOPTGS2
SCHEMBL5556214 0.79 TRPM8 (0.49) TRPM8SMN1; SMN2LMNAPTGDR2

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 TRPV1 4123/4885TRPM8 3522/4885SMN1; SMN2 4646/4885

“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.