SCHEMBL5525665

SCHEMBL5525665

CC(C)(C)c1nc(-c2ccc(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
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
PTGDR2 Q9Y5Y4 5/20 0.45
CDH1 P12830 1/20 0.41
APC P25054 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
PTGS2 P35354 1/20 0.41
XDH P47989 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5524679 0.87 GRIA4 (0.44) RAB9ANPC1PTGS2CDC7DBF4
SCHEMBL5528443 0.87 RARA (0.47) RAB9AKDM4EPOLBPTGS2CDC7
SCHEMBL5528299 0.87 CDC7 (0.51) RAB9ANPC1SMN1; SMN2PTGDR2PTGS2
SCHEMBL5525381 0.86 CDC7 (0.54) RAB9ANPC1SMN1; SMN2PTGDR2PTGS2
SCHEMBL5522085 0.85 PTGS2 (0.56) KDM4ENPC1SMN1; SMN2PTGDR2PTGS2
SCHEMBL5525707 0.84 SMN1; SMN2 (0.41) RAB9AKDM4ENPC1SMN1; SMN2PTGDR2
SCHEMBL5520109 0.84 KMO (0.44) RAB9AKDM4ENPC1SMN1; SMN2POLB
SCHEMBL5527747 0.84 CDC7 (0.58) SMN1; SMN2PTGS2CDC7DBF4
SCHEMBL5522187 0.83 TRPV1 (0.48) RAB9ANPC1SMN1; SMN2POLBCDC7
SCHEMBL5524706 0.81 PTGDR2 (0.48) PTGDR2CDC7DBF4DHODH

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 3225/4885KDM4E 676/4885NPC1 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.