SCHEMBL13343657

SCHEMBL13343657

CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)c(Cl)cc2-c2nnc(CN3CCNCC3)n2[C@H]2CCNC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ CCR9 P51686 15/20 0.36
▸ HSD17B2 P37059 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ CCR2 P41597 1/20 0.34

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
SCHEMBL1095060 0.91 HSD17B2 (0.37) CCR9HSD17B2
SCHEMBL1095062 0.91 HSD17B2 (0.37) CCR9HSD17B2
SCHEMBL1095365 0.88 HSD17B2 (0.39) CCR9HSD17B2
SCHEMBL1095363 0.88 HSD17B2 (0.39) CCR9HSD17B2
SCHEMBL1095291 0.87 CCR9 (0.40) CCR9HSD17B2HTR1AHTR1DHTR1B
SCHEMBL1094541 0.85 CCR9 (0.37) CCR9HSD17B2
SCHEMBL1094543 0.85 CCR9 (0.37) CCR9HSD17B2
SCHEMBL13343630 0.83 HSD17B2 (0.38) CCR9HSD17B2
SCHEMBL1094277 0.81 HSD17B2 (0.37) ALDH1A1CCR9HSD17B2HTR1AHTR1D
SCHEMBL1094275 0.81 HSD17B2 (0.37) ALDH1A1CCR9HSD17B2HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 ALDH1A1 2935/4885CCR9 1/4885HSD17B2 3849/4885

“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.

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