SCHEMBL541908

SCHEMBL541908

COC(=O)[C@H]1CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
KMT2A Q03164 2/20 0.76
MMP2 P08253 7/20 0.69
ANPEP P15144 2/20 0.69
LMNA P02545 1/20 0.59
CYP19A1 P11511 1/20 0.54
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 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
SCHEMBL541907 1.00 ALDH1A1 (0.76) ALDH1A1KMT2AMMP2ANPEPLMNA
SCHEMBL29948324 1.00 ALDH1A1 (0.76) ALDH1A1KMT2AMMP2ANPEPLMNA
SCHEMBL8106846 0.88 KMT2A (0.64) ALDH1A1KMT2AMMP2ANPEPLMNA
SCHEMBL21551113 0.88 KMT2A (0.64) ALDH1A1KMT2AMMP2ANPEPLMNA
SCHEMBL2227030 0.88 KMT2A (0.64) ALDH1A1KMT2AMMP2ANPEPLMNA
SCHEMBL12317084 0.88 ALDH1A1 (0.64) ALDH1A1KMT2AMMP2ANPEPLMNA
SCHEMBL23630362 0.87 KMT2A (0.59) ALDH1A1KMT2AMMP2ANPEPLMNA
SCHEMBL1734643 0.86 MMP2 (0.68) ALDH1A1KMT2AMMP2ANPEP
SCHEMBL1734641 0.86 MMP2 (0.68) ALDH1A1KMT2AMMP2ANPEP
SCHEMBL2771228 0.85 ALDH1A1 (0.72) ALDH1A1KMT2AMMP2ANPEPLMNA

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-20230069886-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2023-03-09 US disclosed
US-20230039836-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2023-02-09 US disclosed
EP-4087651-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP disclosed
EP-4087650-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP disclosed
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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 (3 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-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 ALDH1A1 372/4885KMT2A 883/4885MMP2 4450/4885
US-20230069886-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE PDIA3, PDIA5, PDIA6 ALDH1A1 783/4885KMT2A 4568/4885MMP2 1428/4885
US-20230039836-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE PDIA3, PDIA5, PDIA6 ALDH1A1 509/4885KMT2A 4490/4885MMP2 1443/4885

“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.