SCHEMBL29579136

SCHEMBL29579136

Cc1nn(-c2nc(-c3cccc(F)c3)c(-c3ccc(C(F)(F)F)cc3)s2)c(C(=O)O)c1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAT2A P31153 1/20 0.36
MDM2 Q00987 1/20 0.36
PPARD Q03181 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL20214502 1.00 PTGER1 (0.41) PTGER1ALDH1A1SMN1; SMN2PTGS2PTGS1
SCHEMBL20214265 0.98 PTGER1 (0.43) PTGER1ALDH1A1SMN1; SMN2PTGS2PTGS1
SCHEMBL20214550 0.96 PTGER1 (0.43) PTGER1ALDH1A1SMN1; SMN2PTGS2PTGS1
SCHEMBL29579307 0.96 PTGER1 (0.43) PTGER1ALDH1A1SMN1; SMN2PTGS2PTGS1
SCHEMBL20214528 0.93 PPARD (0.45) PTGER1PPARD
SCHEMBL29579159 0.93 PPARD (0.45) PTGER1PPARD
SCHEMBL20214067 0.93 PPARD (0.45) PTGER1PPARD
SCHEMBL29579677 0.93 PPARD (0.45) PTGER1PPARD
SCHEMBL20214530 0.90 PTGER1 (0.44) PTGER1ALDH1A1SMN1; SMN2PTGS2PTGS1
SCHEMBL20213973 0.89 PPARD (0.43) PPARD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN claimed
CN-118930533-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-11-12 CN disclosed
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN disclosed
US-11325903-B2 Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases BANTAM PHARMACEUTICAL, LLC (US) 2022-05-10 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-11325903-B2 Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases KRAS, TP53, CCNI PTGER1 614/4885ALDH1A1 355/4885SMN1; SMN2 4081/4885

“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.