SCHEMBL21766087

SCHEMBL21766087

Cc1cc(C)cc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.78
PLA2G1B P04054 1/20 0.66
ATG4B Q9Y4P1 1/20 0.66
EPHX2 P34913 9/20 0.64
KDM4E B2RXH2 1/20 0.59
TP53 P04637 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 1/20 0.56

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
SCHEMBL21800632 0.91 PKM (0.84) PKMPLA2G1BATG4BEPHX2TP53
SCHEMBL21883469 0.88 PKM (1.00) PKMPLA2G1BATG4BEPHX2KMT2A
SCHEMBL21766066 0.88 PKM (0.78) PKMPLA2G1BATG4BEPHX2TP53
SCHEMBL20258830 0.88 PKM (0.78) PKMPLA2G1BATG4BEPHX2KDM4E
SCHEMBL21766079 0.86 ALDH1A1 (0.72) PKMPLA2G1BATG4BEPHX2TP53
SCHEMBL21800677 0.84 PKM (0.88) PKMPLA2G1BATG4BEPHX2TP53
SCHEMBL21800582 0.84 PKM (0.76) PKMPLA2G1BATG4BEPHX2KDM4E
SCHEMBL21800579 0.84 PKM (0.79) PKMPLA2G1BATG4BEPHX2TP53
SCHEMBL21800646 0.83 PKM (0.82) PKMPLA2G1BATG4BEPHX2TP53
SCHEMBL21800652 0.83 PKM (0.86) PKMPLA2G1BATG4BEPHX2TP53

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-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-06 US disclosed
US-20200062708-A1 SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE BOEHRINGER INGELHEIM PHARMA GBMH & CO KG (DE) 2020-02-27 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 (2 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-20200062708-A1 SULFONAMIDES AS INHIBITORS OF THE UPTAKE OF EXTRACELLULAR CITRATE CS, GLS, GLS2 PKM 452/4885PLA2G1B 3284/4885ATG4B 4142/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 PKM 452/4885PLA2G1B 3284/4885ATG4B 4142/4885

“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.