SCHEMBL5100683

SCHEMBL5100683

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
CCR2 P41597 8/20 0.57
CCR5 P51681 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CCR4 P51679 1/20 0.57
KCNH2 Q12809 1/20 0.57
CCR1 P32246 2/20 0.53
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL5089490 0.88 MAPK1 (0.66) KMT2ACCR2CCR5CYP1A2CYP3A4
SCHEMBL5101156 0.84 PIK3CD (0.51) KMT2ACCR2CCR5CYP1A2CYP3A4
SCHEMBL5095347 0.81 MAPK1 (0.56) KMT2ACCR2CCR5CYP1A2CYP3A4
SCHEMBL15965567 0.81 CCR2 (0.55) CCR2CCR5CYP1A2CYP3A4CYP2D6
SCHEMBL5094269 0.81 CCR2 (0.57) CCR2CCR5CYP1A2CYP3A4CYP2D6
SCHEMBL3052654 0.81 CCR2 (0.66) CCR2CCR5CYP1A2CYP3A4CYP2D6
SCHEMBL3137630 0.80 CCR2 (0.56) CCR2CCR5CYP1A2CYP3A4CYP2D6
SCHEMBL5118541 0.79 CCR2 (0.61) CCR2CCR1
SCHEMBL3152930 0.79 KDM4E (0.65) KMT2ACCR2CCR5CYP1A2CYP3A4
SCHEMBL5100791 0.78 CCR2 (0.53) KMT2ACCR2CCR5CYP1A2CYP3A4

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-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20060142612-A1 Arylsulfonamide derivatives MERCK SHARP & DOHME CORP. 2006-06-29 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-20060142612-A1 Arylsulfonamide derivatives BDKRB1, BDKRB2, LTB4R2 KMT2A 3864/4885CCR2 178/4885CCR5 1214/4885

“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.