SCHEMBL13627742

SCHEMBL13627742

CCN(CC)S(=O)(=O)NC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13940756 0.80 CA12 (0.75) CA12CA1CA7CA14MAPT
SCHEMBL19631038 0.77 CA12 (0.39) CA12CA1CA7CA14MAPT
SCHEMBL92835 0.76 CA12 (0.38) CA12CA1CA7CA14MAPT
SCHEMBL15014818 0.74 CA12 (0.35) CA12CA1CA7CA14MAPT
SCHEMBL261934 0.72 EPHX1 (0.35) CA12CA1CA7CA14MAPT
SCHEMBL85214 0.72 CA1 (0.43) CA12CA1CA7CA14MAPT
SCHEMBL5637920 0.72 HPGD (0.38) CA12CA1CA7CA14MAPT
SCHEMBL29005950 0.71 FNTA (0.36) CA12CA1CA7CA14MAPT
SCHEMBL3217114 0.70 CA12 (0.38) CA12CA1CA7CA14TSHR
SCHEMBL31461434 0.68 CYP2D6 (0.35) CA12CA1CA7CA14MAPT

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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
WO-2013166468-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INSERO HEALTH INC. (US) 2013-11-07 WO disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-06 US disclosed
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-06 US disclosed
EP-2022782-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE PIPERIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2009-02-11 EP 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 (6 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CA12 2173/4885CA1 1975/4885CA7 2753/4885
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA CA12 4391/4885CA1 4676/4885CA7 3799/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA CA12 4391/4885CA1 4676/4885CA7 3799/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA CA12 4391/4885CA1 4676/4885CA7 3799/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA CA12 4391/4885CA1 4676/4885CA7 3799/4885
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS SNCA, SYNJ1, KCNH2 CA12 2453/4885CA1 1003/4885CA7 490/4885

“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.