SCHEMBL3611545

SCHEMBL3611545

CC[C@@H](N[S@+]([O-])C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 5/20 0.41
KDM4E B2RXH2 3/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GLA P06280 1/20 0.40
BLM P54132 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NR3C2 P08235 1/20 0.39

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
SCHEMBL3611542 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTCYP2C9LMNA
SCHEMBL1473846 0.82 ADRB3 (0.37) MAPTADRB3
SCHEMBL1473847 0.82 ADRB3 (0.37) MAPTADRB3
SCHEMBL4937829 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTCYP2C9LMNA
SCHEMBL4933904 0.78 ALPL (0.37) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4935671 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTCYP2C9LMNA
SCHEMBL4936839 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP2C9LMNAKDM4E
SCHEMBL8032599 0.77 MEN1 (0.38) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4935511 0.77 L3MBTL1 (0.37) ALDH1A1SMN1; SMN2LMNAADRB2ADRB1
SCHEMBL23006109 0.76 LMNA (0.39) ALDH1A1LMNAKDM4EMEN1KMT2A

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-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 ALDH1A1 1314/4885SMN1; SMN2 3171/4885MAPT 4877/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 ALDH1A1 1339/4885SMN1; SMN2 3122/4885MAPT 4877/4885

“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.