SCHEMBL1310091

SCHEMBL1310091

Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
CYP2C19 P33261 1/20 0.63
GAA P10253 1/20 0.54
OPRM1 P35372 1/20 0.52
OXTR P30559 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
TNF P01375 2/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL11602090 0.87 OPRM1 (0.56) KMT2AMEN1CYP2C19OPRM1ALDH1A1
SCHEMBL5915372 0.87 KMT2A (0.67) KMT2AMEN1GAAOPRM1CA12
SCHEMBL5470612 0.84 KMT2A (0.62) KMT2AMEN1CYP2C19OXTRPOLB
SCHEMBL11124896 0.84 OXTR (0.55) KMT2AMEN1CYP2C19GAAOXTR
SCHEMBL11115677 0.84 OXTR (0.55) KMT2AMEN1CYP2C19GAAOXTR
SCHEMBL11111683 0.83 MEN1 (0.57) KMT2AMEN1CYP2C19OXTRTNF
SCHEMBL11118953 0.81 ADRA1D (0.53) KMT2AMEN1CYP2C19GAAOXTR
SCHEMBL24992888 0.80 MEN1 (0.55) KMT2AMEN1OPRM1CA12CA1
SCHEMBL16644532 0.80 CYP2C19 (0.67) KMT2AMEN1CYP2C19GAAOXTR
SCHEMBL11178032 0.79 OXTR (0.50) KMT2AMEN1CYP2C19OXTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329522-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-11-19 US disclosed
US-8962846-B2 Melanocortin receptor antagonist compounds, process for preparing them and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-24 US disclosed
US-8877968-B2 Melanocortin receptor modulators, process for preparing them and use there in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-11-04 US disclosed
EP-2352728-B1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-21 EP disclosed
EP-2352729-B1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-14 EP disclosed
WO-2012131090-A1 METHOD FOR TREATMENT OF XERODERMA PIGMENTOSUM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-04 WO disclosed
US-20110281913-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-17 US disclosed
US-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 US disclosed
EP-2352728-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 EP disclosed
EP-2352729-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 EP disclosed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO disclosed
WO-2010052256-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 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 (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-20150329522-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R KMT2A 2301/4885MEN1 427/4885CYP2C19 419/4885
US-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R KMT2A 2487/4885MEN1 274/4885CYP2C19 316/4885
US-20110281913-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R KMT2A 1992/4885MEN1 285/4885CYP2C19 305/4885

“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.