SCHEMBL1109031

SCHEMBL1109031

Cc1cc(C(=O)NN)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 8/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
UQCRB P14927 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PTPN5 P54829 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PSD A5PKW4 1/20 0.43
CCR9 P51686 1/20 0.43

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
SCHEMBL1094796 0.92 MEN1 (0.52) HSD17B2MEN1KMT2AUQCRBCA1
SCHEMBL1094792 0.88 HSD17B2 (0.54) HSD17B2MEN1KMT2AUQCRBCCR9
SCHEMBL1095692 0.84 HSD17B2 (0.48) HSD17B2MEN1KMT2AUQCRBCA1
SCHEMBL1094267 0.79 CCR9 (0.66) HSD17B2CCR9
SCHEMBL1093676 0.79 HSD17B2 (0.66) HSD17B2CCR9
SCHEMBL1104720 0.78 PTPN5 (0.58) HSD17B2UQCRBPTPN5ALDH1A1HSD17B10
SCHEMBL1093680 0.77 HSD17B2 (0.54) HSD17B2UQCRBCCR9
SCHEMBL1093674 0.74 HSD17B2 (0.54) HSD17B2PTPN5ALDH1A1
SCHEMBL1094155 0.74 CCR9 (0.53) HSD17B2UQCRBCA1CA2PSD
SCHEMBL1037823 0.73 HSD17B2 (0.55) HSD17B2MEN1KMT2AUQCRBCA1

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-8153818-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2012-04-10 US disclosed
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-07-29 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-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 HSD17B2 3849/4885MEN1 4877/4885KMT2A 3579/4885

“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.