SCHEMBL10186406

SCHEMBL10186406

Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
KEAP1 Q14145 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 7/20 0.41
FFAR4 Q5NUL3 4/20 0.41
CHRM2 P08172 1/20 0.41
S1PR1 P21453 1/20 0.41
FPR1 P21462 1/20 0.41
FPR3 P25089 1/20 0.41
GPR183 P32249 1/20 0.41
APLNR P35414 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
GAA P10253 1/20 0.40
EGFR P00533 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR4A2 P43354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL12753713 0.78 SKP2 (0.36) NPSR1NPC1RAB9AKDM4EALDH1A1
Succinic Acid SCHEMBL1352389 0.76 NR4A2 (0.60) KEAP1RAB9AFFAR1GAAKMT2A
SCHEMBL2059392 0.75 EGFR (0.55) NPSR1KEAP1NPC1RAB9AFFAR1
SCHEMBL14988768 0.75 NPSR1 (0.57) NPSR1FFAR1FFAR4S1PR1EGFR
SCHEMBL6263548 0.73 NPSR1 (0.55) NPSR1KEAP1NPC1RAB9AFFAR1
SCHEMBL98535 0.73 ALOX15 (0.44) FFAR1MEN1KMT2A
SCHEMBL12237573 0.73 CES2 (0.41) MEN1KMT2A
SCHEMBL1964714 0.72 NPSR1 (0.53) NPSR1KEAP1NPC1RAB9AFFAR1
SCHEMBL98390 0.71 PTGS1 (0.48) NPC1GAAMEN1KMT2AALDH1A1
SCHEMBL2618590 0.70 MEN1 (0.35) NPSR1NPC1RAB9AFFAR4GAA

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-20120015299-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR TOKYO OHKA KOGYO CO., LTD. (JP) 2012-01-19 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-20120015299-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR RER1, ASIC1, ABCC1 NPSR1 1466/4885KEAP1 1563/4885NPC1 2884/4885

“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.