SCHEMBL12594376

SCHEMBL12594376

Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccnc2N)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
CCR2 P41597 12/20 0.52
CYP2C9 P11712 5/20 0.52
CYP3A4 P08684 5/20 0.52
CYP2C19 P33261 3/20 0.52
CCR4 P51679 3/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CCR5 P51681 1/20 0.48
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
CCR9 P51686 2/20 0.42
MAPT P10636 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
SCHEMBL12594330 0.91 MEN1 (0.54) MEN1LMNAKMT2ACCR2CYP2C9
SCHEMBL10223241 0.91 CCR2 (0.56) MEN1LMNAKMT2ACCR2CYP2C9
SCHEMBL12594714 0.89 MEN1 (0.56) MEN1LMNAKMT2ACCR2CYP2C9
SCHEMBL10223215 0.87 MEN1 (0.59) MEN1LMNAKMT2ACCR2CYP2C9
SCHEMBL12594353 0.86 MEN1 (0.50) MEN1LMNAKMT2ACCR2CYP2C9
SCHEMBL305793 0.86 CYP2C9 (0.65) CCR2CYP2C9CYP3A4
SCHEMBL12594321 0.85 MEN1 (0.54) MEN1LMNAKMT2ACCR2CYP2C9
SCHEMBL10223233 0.84 CCR2 (0.66) CCR2CYP2C9CYP3A4CYP2C19CCR4
SCHEMBL12594327 0.84 MEN1 (0.55) MEN1LMNAKMT2ACCR2CYP2C9
SCHEMBL12594753 0.84 LMNA (0.61) MEN1LMNAKMT2ACCR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 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 (4 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MEN1 1427/4885LMNA 2030/4885KMT2A 1042/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885LMNA 4645/4885KMT2A 2475/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885LMNA 4645/4885KMT2A 2475/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 MEN1 4873/4885LMNA 4645/4885KMT2A 2475/4885

“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.