SCHEMBL5676337

SCHEMBL5676337

COc1cc(C(C)(C)NC(=O)OCc2ccccc2)ccc1NS(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP19A1 P11511 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
NR3C1 P04150 1/20 0.43

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
SCHEMBL5673071 0.86 TRPV1 (0.49) TRPV1
SCHEMBL5673104 0.81 HPGD (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2CA1
SCHEMBL5676459 0.79 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5676455 0.77 CA1 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL15362812 0.77 MEN1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2CA1
SCHEMBL5676340 0.76 CA2 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2CA1
SCHEMBL5948008 0.76 CA1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL2061934 0.75 RAB9A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2CA1
SCHEMBL5674219 0.75 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14349181 0.74 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642657-B2 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
EP-1658265-A4 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUENENTHAL GMBH (DE) 2006-11-29 EP disclosed
US-20060258884-A1 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2006-11-16 US disclosed
EP-1658265-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Grünenthal GmbH (DE) 2006-05-24 EP disclosed
WO-2005003084-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUNENTHAL GMBH (DE) 2005-01-13 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-20060258884-A1 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same TRPV1, TRPA1, GPR68 KMT2A 913/4885MEN1 2980/4885ALDH1A1 2294/4885

“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.