SCHEMBL5524844

SCHEMBL5524844

CC(C)(C)c1nc(Cc2cccc(-c3ccc(F)nc3)c2)c(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.39
F2RL3 Q96RI0 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DHODH Q02127 1/20 0.37
LIPG Q9Y5X9 2/20 0.36
SRC P12931 1/20 0.35
DHFR P00374 1/20 0.35
LIPC P11150 1/20 0.35
ACMSD Q8TDX5 1/20 0.34

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
SCHEMBL5522743 0.88 TRPM8 (0.46) F2RL3SMN1; SMN2ALDH1A1DHODH
SCHEMBL5522334 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1DHFRACMSD
SCHEMBL5521998 0.84 HCAR2 (0.46) CHRM4SMN1; SMN2ALDH1A1
SCHEMBL5527759 0.83 DHFR (0.48) SMN1; SMN2ALDH1A1LIPGDHFR
SCHEMBL5520170 0.82 KMT2A (0.46) SMN1; SMN2DHFR
SCHEMBL5528442 0.78 NR1H4 (0.43) SMN1; SMN2DHFR
SCHEMBL5522256 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL5528655 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1
SCHEMBL5527532 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL5522180 0.77 HCAR2 (0.46) CHRM4SMN1; SMN2ALDH1A1

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 CHRM4 1861/4885F2RL3 1251/4885SMN1; 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.