SCHEMBL2236663

SCHEMBL2236663

O=C1NCCN1c1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EIF2AK2 P19525 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB5 P18084 1/20 0.36

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
SCHEMBL2303672 0.90 AKR1C3 (0.40) TSHRSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL11751048 0.84 ALDH1A1 (0.44) SCN9AHSD17B10CYP1A2CYP3A4TSHR
SCHEMBL13589494 0.83 PTGS2 (0.45) AKR1C3PTGS2
SCHEMBL13588741 0.79 EGFR (0.39) SCN9AEIF2AK2ALDH1A1LMNAKDM4E
SCHEMBL11744530 0.79 SMN1; SMN2 (0.44) SCN9ASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2723456 0.78 HTR3E (0.47) EIF2AK2ALDH1A1LMNAPOLBITGB3
SCHEMBL2303037 0.77 GAA (0.43) SCN9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31443778 0.77 CRBN (0.63) ALDH1A1KDM4EAKR1C3HTR6
SCHEMBL2297976 0.76 TDP1 (0.51) SCN9ACYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL305860 0.76 ALDH1A1 (0.55) SCN9AEIF2AK2ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO 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
EP-1643960-A2 ARYLSULFONAMIDE DERIVATIVES Merck & Co., Inc. (US) 2006-04-12 EP disclosed
WO-2005004810-A2 ARYLSULFONAMIDE DERIVATIVES MERCK & CO., INC. (US) 2005-01-20 WO disclosed
US-4031229-A SUBSTITUTED IMIDAZOLIDINONE-PENICILLANIC ACIDS, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 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-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS CCNY, RPS4Y1, TPX2 SCN9A 1217/4885HSD17B10 4591/4885CYP1A2 2309/4885
US-20060142612-A1 Arylsulfonamide derivatives BDKRB1, BDKRB2, LTB4R2 SCN9A 321/4885HSD17B10 3348/4885CYP1A2 1374/4885

“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.