SCHEMBL1104720

SCHEMBL1104720

CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.58
KDM1A O60341 3/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B2 P37059 6/20 0.52
UQCRB P14927 1/20 0.52
ACLY P53396 1/20 0.52
METAP2 P50579 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1093674 0.90 HSD17B2 (0.54) PTPN5KDM1AKDM4EHSD17B2ACLY
SCHEMBL1094796 0.86 MEN1 (0.52) PTPN5HSD17B2UQCRBALDH1A1
SCHEMBL1094560 0.86 PTPN5 (0.57) PTPN5KDM1AKDM4EHSD17B2UQCRB
SCHEMBL343314 0.82 CCR9 (0.64)
SCHEMBL1104724 0.81 HSD17B2 (0.70) PTPN5KDM1AHSD17B2ACLYMETAP2
SCHEMBL4649665 0.81 METAP2 (0.74) PTPN5KDM1AHSD17B2UQCRBMETAP2
SCHEMBL1093574 0.81 CCR9 (0.70) HSD17B2ACLYMETAP2
SCHEMBL1093680 0.80 HSD17B2 (0.54) HSD17B2UQCRB
SCHEMBL1109031 0.78 HSD17B2 (0.51) PTPN5HSD17B2UQCRBALDH1A1HSD17B10
SCHEMBL1094792 0.77 HSD17B2 (0.54) HSD17B2UQCRB

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 12 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

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 PTPN5 193/4885KDM1A 4262/4885KDM4E 3642/4885
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 PTPN5 193/4885KDM1A 4262/4885KDM4E 3642/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 PTPN5 193/4885KDM1A 4262/4885KDM4E 3642/4885

“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.