SCHEMBL21800697

SCHEMBL21800697

COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.79
ALDH1A1 P00352 2/20 0.71
HSD17B10 Q99714 1/20 0.67
KMT2A Q03164 3/20 0.66
MEN1 O00255 1/20 0.66
PLA2G1B P04054 1/20 0.64
ATG4B Q9Y4P1 1/20 0.64
HPGD P15428 1/20 0.63
MAPT P10636 1/20 0.59

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
SCHEMBL21800673 0.89 PKM (0.74) PKMALDH1A1HSD17B10KMT2AMEN1
SCHEMBL21800645 0.89 PKM (0.74) PKMALDH1A1KMT2APLA2G1BATG4B
SCHEMBL21800632 0.89 PKM (0.84) PKMALDH1A1KMT2AMEN1PLA2G1B
SCHEMBL21883469 0.88 PKM (1.00) PKMALDH1A1KMT2AMEN1PLA2G1B
SCHEMBL20509048 0.88 PKM (0.76) PKMALDH1A1HSD17B10KMT2AMEN1
SCHEMBL21800677 0.87 PKM (0.88) PKMALDH1A1KMT2AMEN1PLA2G1B
SCHEMBL21800579 0.86 PKM (0.79) PKMALDH1A1KMT2AMEN1PLA2G1B
SCHEMBL21800646 0.86 PKM (0.82) PKMALDH1A1KMT2AMEN1PLA2G1B
SCHEMBL21800652 0.86 PKM (0.86) PKMALDH1A1KMT2AMEN1PLA2G1B
SCHEMBL21800692 0.85 PKM (0.77) PKMKMT2AMEN1PLA2G1BATG4B

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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 US disclosed
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 498/4885ALDH1A1 737/4885HSD17B10 471/4885

“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.