SCHEMBL5522358

SCHEMBL5522358

CC(C)(C)c1nc(Cc2ccc(Cl)cc2)c(C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
HSP90AA1 P07900 1/20 0.40
COPS5 Q92905 1/20 0.40
ALOX5 P09917 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL5520247 0.88 SRD5A2 (0.41) RAB9ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL5527532 0.87 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL5524260 0.86 PPARA (0.40) RAB9ASMN1; SMN2KDM4EMAPTGAA
SCHEMBL5522256 0.85 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL5528374 0.84 ALDH1A1 (0.45) SMN1; SMN2NPC1KDM4EALDH1A1MAPT
SCHEMBL5522346 0.84 PLA2G10 (0.44) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL5528465 0.83 EPHX2 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5527609 0.83 CACNA1G (0.38) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL5527684 0.82 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1KDM4EPOLB
SCHEMBL5527717 0.82 TSHR (0.47) SMN1; SMN2POLBALDH1A1XDH

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 RAB9A 3225/4885SMN1; SMN2 4646/4885NPC1 3623/4885

“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.