SCHEMBL1104724

SCHEMBL1104724

CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.70
KDM1A O60341 1/20 0.65
CCR9 P51686 8/20 0.60
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60
KDR P35968 1/20 0.60
CCR2 P41597 1/20 0.59
ACLY P53396 3/20 0.59
PTPN5 P54829 1/20 0.57
ALDH1A1 P00352 1/20 0.57
METAP2 P50579 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
SCHEMBL1093574 0.90 CCR9 (0.70) HSD17B2CCR9CCR2ACLYMETAP2
SCHEMBL6713098 0.88 KDM1A (0.68) KDM1ACCR2ACLYALDH1A1METAP2
SCHEMBL12221304 0.87 CCR9 (0.66) HSD17B2CCR9FLT1FLT4KDR
SCHEMBL1093676 0.86 HSD17B2 (0.66) HSD17B2KDM1ACCR9FLT1FLT4
SCHEMBL1094560 0.85 PTPN5 (0.57) HSD17B2KDM1ACCR9CCR2ACLY
SCHEMBL3810580 0.84 ACLY (0.70) KDM1ACCR2ACLY
SCHEMBL343772 0.83 CCR9 (0.69) HSD17B2CCR9CCR2
SCHEMBL2616473 0.82 CCR9 (0.70) HSD17B2CCR9FLT1FLT4KDR
SCHEMBL1094102 0.82 CCR9 (0.70) HSD17B2CCR9FLT1FLT4KDR
SCHEMBL1093674 0.81 HSD17B2 (0.54) HSD17B2KDM1AACLYPTPN5ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481579-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-8481579-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-8153818-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2012-04-10 US disclosed
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
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-07-29 US disclosed
US-7718683-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-05-18 US disclosed
US-7718683-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-05-18 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
WO-2008010934-A2 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2008-01-24 WO 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 (3 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-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 HSD17B2 3849/4885KDM1A 4262/4885CCR9 1/4885
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 HSD17B2 3849/4885KDM1A 4262/4885CCR9 1/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 HSD17B2 3849/4885KDM1A 4262/4885CCR9 1/4885

“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.