SCHEMBL5520108

SCHEMBL5520108

CC(C)(C)c1nc(Cc2ccccc2Cl)c(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
CTBP2 P56545 1/20 0.37
CFTR P13569 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
CSNK1D P48730 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5522175 0.87 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMAPTCTBP2
SCHEMBL5527746 0.86 TSHR (0.41) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5528337 0.85 NPC1 (0.45) POLBSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5522126 0.85 PTGDR2 (0.38) SMN1; SMN2RAB9AMAPTKDM4EMEN1
SCHEMBL5527666 0.84 P2RX3 (0.50) POLBSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL5525613 0.83 P2RX7 (0.40) SMN1; SMN2NPC1RAB9A
SCHEMBL13494117 0.83 SMN1; SMN2 (0.42) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL5522185 0.82 POLB (0.42) POLBNPC1RAB9ATP53MEN1
SCHEMBL5527532 0.82 SMN1; SMN2 (0.48) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5524256 0.81 RAB9A (0.43) POLBSMN1; SMN2NPC1RAB9ATP53

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 POLB 2/4885SMN1; 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.