SCHEMBL5520109

SCHEMBL5520109

CC(C)(C)c1nc(-c2ccc(F)c(Cl)c2)c(C(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.44
RPA1 P27694 1/20 0.41
ABL1 P00519 1/20 0.41
TRPV1 Q8NER1 3/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MDM2 Q00987 1/20 0.38
TSPO P30536 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CASP1 P29466 1/20 0.36

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
SCHEMBL5525665 0.84 RAB9A (0.51) PTGS2SMN1; SMN2KDM4ENPC1POLB
SCHEMBL13494039 0.83 KMO (0.47) KMORPA1ABL1PTGS2SMN1; SMN2
SCHEMBL5522187 0.82 TRPV1 (0.48) KMOTRPV1SMN1; SMN2NPC1POLB
SCHEMBL5522085 0.81 PTGS2 (0.56) PTGS2SMN1; SMN2KDM4ENPC1
SCHEMBL5525575 0.80 TRPV1 (0.48) KMOTRPV1PTGS2SMN1; SMN2
SCHEMBL5524362 0.78 CA12 (0.44) ABL1SMN1; SMN2NPC1RAB9A
SCHEMBL5524679 0.77 GRIA4 (0.44) PTGS2NPC1RAB9A
SCHEMBL5528443 0.77 RARA (0.47) PTGS2KDM4EPOLBRAB9A
SCHEMBL5528299 0.77 CDC7 (0.51) PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL5525381 0.77 CDC7 (0.54) PTGS2SMN1; SMN2NPC1RAB9A

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 2 patents. 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
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 KMO 1203/4885RPA1 229/4885ABL1 2592/4885

“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.