SCHEMBL5089490

SCHEMBL5089490

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.66
HTT P42858 3/20 0.65
BDKRB1 P46663 2/20 0.58
CCR2 P41597 5/20 0.56
ALDH1A1 P00352 1/20 0.56
CCR1 P32246 1/20 0.56
GPR27 Q9NS67 2/20 0.56
KMT2A Q03164 2/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CCR4 P51679 1/20 0.53
CCR5 P51681 1/20 0.53
KCNH2 Q12809 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL5095347 0.91 MAPK1 (0.56) MAPK1HTTCCR2ALDH1A1CCR1
SCHEMBL5100683 0.88 KMT2A (0.58) MAPK1HTTCCR2ALDH1A1CCR1
SCHEMBL5100791 0.87 CCR2 (0.53) MAPK1HTTCCR2CCR1GPR27
SCHEMBL5101156 0.85 PIK3CD (0.51) MAPK1HTTCCR2ALDH1A1CCR1
SCHEMBL14131177 0.85 MAPK1 (0.57) MAPK1HTTBDKRB1ALDH1A1KMT2A
SCHEMBL15965567 0.84 CCR2 (0.55) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL3052654 0.84 CCR2 (0.66) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5094566 0.83 GPR27 (0.55) MAPK1CCR2CCR1GPR27KMT2A
SCHEMBL3137630 0.83 CCR2 (0.56) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL14131226 0.82 ALDH1A1 (0.61) MAPK1HTTALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 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-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 (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-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 MAPK1 1742/4885HTT 2196/4885BDKRB1 328/4885
US-20060142612-A1 Arylsulfonamide derivatives BDKRB1, BDKRB2, LTB4R2 MAPK1 265/4885HTT 2105/4885BDKRB1 1/4885

“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.