SCHEMBL2629495

SCHEMBL2629495

C=C(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)c2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 18/20 0.54
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B2 P37059 1/20 0.42

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
SCHEMBL1630985 0.85 CCR9 (0.58) CCR9HSD17B2
SCHEMBL2629436 0.78 CCR9 (0.84) CCR9LMNATP53MAPTHTT
SCHEMBL2629497 0.76 CCR9 (0.53) CCR9LMNATP53MAPTHTT
SCHEMBL11936934 0.76 CCR9 (0.70) CCR9LMNATP53MAPTHTT
SCHEMBL2629456 0.73 CCR9 (0.60) CCR9LMNATP53MAPTHTT
SCHEMBL2631724 0.73 CCR9 (0.49) CCR9LMNATP53MAPTHTT
SCHEMBL1630763 0.72 CCR9 (0.63) CCR9HSD17B2
SCHEMBL344540 0.70 CCR9 (1.00) CCR9LMNATP53MAPTHTT
SCHEMBL10241675 0.69 CCR9 (0.60) CCR9LMNATP53MAPTHTT
SCHEMBL2168505 0.69 CCR9 (1.00) CCR9LMNATP53MAPTHTT

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-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 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 (2 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-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885LMNA 4876/4885TP53 3805/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885LMNA 4876/4885TP53 3805/4885

“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.