SCHEMBL3979951

SCHEMBL3979951

Cc1ccc([N+](=O)[O-])cc1NC(=O)N=S(C)(C)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 6/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HPGD P15428 3/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL3988541 0.85 MEN1 (0.56) HTTALDH1A1MAPTPOLBKMT2A
SCHEMBL3979152 0.85 ALDH1A1 (0.56) HTTALDH1A1MAPTPOLBKMT2A
SCHEMBL3983413 0.83 MEN1 (0.60) HTTSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL3989129 0.81 PKM (0.66) HTTSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL3980503 0.80 HTT (0.58) HTTSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL4320209 0.79 HTT (0.68) HTTSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL11332313 0.79 KMT2A (0.71) HTTSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL4320215 0.79 HTT (0.68) HTTSMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL3989072 0.79 KMT2A (0.57) SMN1; SMN2ALDH1A1MAPTPOLBKMT2A
SCHEMBL5201193 0.78 MCL1 (0.59) HTTSMN1; SMN2ALDH1A1MAPTPOLB

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
EP-2059511-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-20 — — EP disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 — — US disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 — — US disclosed
WO-2008025556-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 — — WO 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-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors CABLES1, CKS2, CDK2AP1 HTT 4393/4885SMN1; SMN2 3570/4885ALDH1A1 1535/4885

“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.

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