SCHEMBL11938245

SCHEMBL11938245

O=C(c1ccncc1)c1cc(Cl)ccc1NSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 11/20 0.65
▸ KCNK2 O95069 1/20 0.42
▸ KCNK10 P57789 1/20 0.42
▸ TMPRSS4 Q9NRS4 2/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ GRIK1 P39086 1/20 0.39

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
SCHEMBL14034474 0.86 CCR9 (0.53) CCR9SMN1; SMN2
SCHEMBL11938257 0.86 CCR9 (0.53) CCR9SMN1; SMN2
SCHEMBL11936845 0.86 CCR9 (0.49) CCR9SMN1; SMN2KCNMA1
SCHEMBL12374819 0.81 CCR9 (0.47) CCR9SMN1; SMN2
SCHEMBL344540 0.79 CCR9 (1.00) CCR9
SCHEMBL11937175 0.78 CCR9 (0.55) CCR9SMN1; SMN2PPARGNR1H4
SCHEMBL11938267 0.78 CCR9 (0.55) CCR9SMN1; SMN2PPARGNR1H4
SCHEMBL11938278 0.77 CCR9 (0.70) CCR9
SCHEMBL10284611 0.76 CCR9 (0.49) CCR9KCNK2KCNK10SMN1; SMN2
SCHEMBL15906641 0.76 CCR9 (0.64) CCR9SMN1; SMN2KCNMA1

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-8211896-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2012-07-03 — — US disclosed
US-20110021523-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2011-01-27 — — 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-20110021523-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885KCNK2 2778/4885KCNK10 2927/4885

“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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