SCHEMBL7475857

SCHEMBL7475857

O=[C]c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.76
ALDH1A1 P00352 2/20 0.60
PRMT1 Q99873 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP19A1 P11511 1/20 0.57
PGR P06401 1/20 0.56
HTT P42858 1/20 0.54
AR P10275 1/20 0.54
MAPT P10636 3/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL2474197 0.87 CES1 (1.00) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL6554630 0.87 CES1 (1.00) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL6554559 0.85 CES1 (0.73) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL7572500 0.85 CES1 (0.73) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL11775495 0.83 CA12 (0.64) ALDH1A1TDP1HTTARMAPT
SCHEMBL11774264 0.82 KMT2A (0.69) ALDH1A1CYP19A1PGRARMAPT
SCHEMBL7364375 0.79 ALDH1A1 (0.68) ALDH1A1TDP1HTTMAPTCA1
SCHEMBL96121 0.79 CES1 (0.81) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL2136408 0.79 CES1 (0.81) CES1ALDH1A1PRMT1TDP1CYP19A1
SCHEMBL6302309 0.79 CES1 (0.81) CES1ALDH1A1PRMT1TDP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010011085-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 2001-08-02 US claimed
EP-0809644-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-12-03 EP claimed
WO-1997022609-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-06-26 WO claimed
US-20010011085-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 2001-08-02 US disclosed
EP-0809644-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-12-03 EP disclosed
WO-1997022609-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-06-26 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-20010011085-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS SERPINB1, ELANE, CTSE CES1 81/4885ALDH1A1 3023/4885PRMT1 1562/4885

“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.