SCHEMBL4075674

SCHEMBL4075674

N#CCS(=O)(=O)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSK P43235 2/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL4071125 1.00 ALDH1A1 (0.32) ALDH1A1LMNAMAPTSMN1; SMN2CTSK
SCHEMBL4076855 1.00 ALDH1A1 (0.32) ALDH1A1LMNAMAPTSMN1; SMN2CTSK
SCHEMBL4073912 0.98
SCHEMBL18668332 0.88
SCHEMBL28012283 0.79 CA12 (0.31) ALDH1A1CA12CA1CA7CA14
SCHEMBL17376464 0.78 CTSS (0.34) CTSS
SCHEMBL1962555 0.77 CA12 (0.30) CA12CA1CA7CA14
SCHEMBL1965629 0.74
SCHEMBL1060897 0.72 CA1 (0.36) LMNAMAPTSMN1; SMN2CA12CA1
SCHEMBL17376388 0.71 CTSS (0.30) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059713-B2 3-substituted 2-amino-indole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-28 US disclosed
US-9908846-B2 Composition, synthesis, and use of new arylsulfonyl isonitriles DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-03-06 US disclosed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
EP-3160965-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-3160955-A1 1,3-SUBSTITUTED 2-AMINOINDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY AND INFLAMMATORY BOWEL DISEASE Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
WO-2015198046-A1 1,3-SUBSTITUTED 2-AMINOINDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 WO disclosed
WO-2015198045-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 WO disclosed
WO-2015198045-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 WO disclosed
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 US disclosed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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 (5 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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE GPR119, IDO1, IDO2 ALDH1A1 1063/4885LMNA 3742/4885MAPT 4494/4885
US-10059713-B2 3-substituted 2-amino-indole derivatives NPY5R, XDH, NPY4R ALDH1A1 1979/4885LMNA 2945/4885MAPT 3061/4885
US-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES SRMS, AADAC, CYP3A4 ALDH1A1 1240/4885LMNA 2953/4885MAPT 1767/4885
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES NPY5R, XDH, NPY4R ALDH1A1 1979/4885LMNA 2945/4885MAPT 3061/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 ALDH1A1 66/4885LMNA 3584/4885MAPT 4680/4885

“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.