SCHEMBL5528442

SCHEMBL5528442

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
FOLH1 Q04609 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 4/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ROCK1 Q13464 1/20 0.39
PIK3CG P48736 1/20 0.39
DHFR P00374 1/20 0.39
MEP1B Q16820 1/20 0.39
USP28 Q96RU2 1/20 0.39
USP25 Q9UHP3 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 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
SCHEMBL5527759 0.93 DHFR (0.48) NR1H4SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5527532 0.87 SMN1; SMN2 (0.48) SMN1; SMN2RAB9A
SCHEMBL5522180 0.86 HCAR2 (0.46) SMN1; SMN2RAB9A
SCHEMBL5520198 0.85 RXFP1 (0.45) TP53RAB9ARXFP1ROCK1
SCHEMBL5528655 0.84 ALDH1A1 (0.53) SMN1; SMN2RAB9ANR4A2
SCHEMBL5520247 0.84 SRD5A2 (0.41) NR1H4SMN1; SMN2RAB9ADHFRNR4A2
SCHEMBL5528335 0.82 SMN1; SMN2 (0.42) NR1H4SMN1; SMN2RAB9A
SCHEMBL5520170 0.82 KMT2A (0.46) SMN1; SMN2RAB9ADHFR
SCHEMBL5556518 0.81 DHFR (0.47) FOLH1SMN1; SMN2HTTMRGPRX4TP53
SCHEMBL5522334 0.81 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ADHFR

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 NR1H4 871/4885FOLH1 818/4885SMN1; 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.