SCHEMBL21800673

SCHEMBL21800673

CC(C)Oc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.74
PLA2G1B P04054 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.54
PTGDR Q13258 1/20 0.54
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL21800697 0.89 PKM (0.79) PKMPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL21800632 0.86 PKM (0.84) PKMPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL21883469 0.86 PKM (1.00) PKMPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL20509048 0.86 PKM (0.76) PKMPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL21800677 0.84 PKM (0.88) PKMPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL21800579 0.83 PKM (0.79) PKMPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL21800646 0.83 PKM (0.82) PKMPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL21800652 0.83 PKM (0.86) PKMPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL21800692 0.83 PKM (0.77) PKMPLA2G1BATG4BKMT2ATP53
SCHEMBL20511828 0.82 PKM (0.80) PKMPLA2G1BATG4BKMT2AALDH1A1

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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY CS, SLC2A1, SLC2A2 PKM 498/4885PLA2G1B 4697/4885ATG4B 3170/4885

“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.