SCHEMBL21766035

SCHEMBL21766035

Cc1cc(C)cc(S(=O)(=O)N2CCC(C(=O)NCc3nc(C)cs3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.53
PKM P14618 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC13A5 Q86YT5 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL21766054 0.90 SLC13A5 (0.62) EPHX2PKMPLA2G1BATG4BALDH1A1
SCHEMBL21766077 0.90 KMT2A (0.50) PKMPLA2G1BATG4BTP53ALDH1A1
SCHEMBL21766072 0.82 EPHX2 (0.54) EPHX2PKMPLA2G1BATG4BTP53
SCHEMBL20258851 0.80 HPGD (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL21765928 0.76 TP53 (0.82) EPHX2PKMTP53ALDH1A1SMN1; SMN2
SCHEMBL21765931 0.76 SLC13A5 (0.82) EPHX2TP53ALDH1A1SLC13A5MEN1
SCHEMBL21766082 0.76 TP53 (0.66) EPHX2PKMTP53ALDH1A1CYP3A4
SCHEMBL21766055 0.74 SLC13A5 (0.76) EPHX2PKMPLA2G1BATG4BTP53
SCHEMBL21766087 0.74 PKM (0.78) EPHX2PKMPLA2G1BATG4BTP53
SCHEMBL21766065 0.73 SLC13A5 (0.64) PKMALDH1A1SMN1; SMN2SLC13A5MEN1

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 EPHX2 3210/4885PKM 452/4885PLA2G1B 3284/4885
US-10793522-B2 Sulfonamides as inhibitors of the uptake of extracellular citrate CS, GLS, GLS2 EPHX2 3210/4885PKM 452/4885PLA2G1B 3284/4885

“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.