SCHEMBL16273552

SCHEMBL16273552

CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)nn2-c2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
PTGS2 P35354 8/20 0.50
ALOX5 P09917 2/20 0.50
CYP2C9 P11712 1/20 0.50
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
RXRA P19793 2/20 0.47
LDHA P00338 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NQO2 P16083 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
PTGER1 P34995 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL21477026 0.82 RAB9A (0.53) MAPTRAB9ACYP2C9LDHAMEN1
SCHEMBL16273550 0.82 RAB9A (0.53) MAPTRAB9AALOX5LDHAMEN1
SCHEMBL12568360 0.77 RAB9A (0.57) MAPTRAB9ACYP2C9LDHAMAPK1
SCHEMBL8421185 0.76 PTGS2 (0.80) PTGS2ALOX5CYP2C9RARARARB
SCHEMBL8420828 0.76 PTGS2 (0.80) PTGS2ALOX5CYP2C9RARARARB
SCHEMBL1548505 0.74 LDHA (0.75) CYP2C9LDHAKDM4EALDH1A1POLB
SCHEMBL16273545 0.74 NPC1 (0.52) MAPTRAB9ALDHAMEN1LMNA
SCHEMBL16273551 0.74 NPC1 (0.48) MAPTRAB9ALDHAMAPK1KDM4E
SCHEMBL6164498 0.73
SCHEMBL25328164 0.73 RAB9A (0.58) MAPTRAB9ACYP2C9LDHAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358960-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-14 US disclosed
US-20210032234-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX DANA-FARBER CANCER INSTITUTE, INC. 2021-02-04 US disclosed
EP-2766355-B1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX DANA FARBER CANCER INST INC (US) 2020-12-23 EP disclosed
US-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 US disclosed
US-9303024-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-04-05 US disclosed
US-20140357687-A1 Pyrazol-3-ones That Activate Pro-apoptotic BAX DANA FARBER CANCER INSTITUTE, INC. (US) 2014-12-04 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 (4 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-20210032234-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX BAX, BAD, CASP3 MAPT 3506/4885RAB9A 1557/4885PTGS2 1319/4885
US-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX BAX, BAD, CASP3 MAPT 3506/4885RAB9A 1557/4885PTGS2 1319/4885
US-20140357687-A1 Pyrazol-3-ones That Activate Pro-apoptotic BAX BAX, BAD, CASP3 MAPT 3506/4885RAB9A 1557/4885PTGS2 1319/4885
US-11358960-B2 Pyrazol-3-ones that activate pro-apoptotic BAX BAX, BAD, CASP3 MAPT 3506/4885RAB9A 1557/4885PTGS2 1319/4885

“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.