SCHEMBL12468752

SCHEMBL12468752

O=C(O)N1CCC(=S)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL114393 0.79 HSP90AA1 (0.42)
SCHEMBL362028 0.76 PKM (0.40) KMT2A
SCHEMBL2206799 0.73 NPSR1 (0.33) KMT2A
SCHEMBL145307 0.73
SCHEMBL9079929 0.73 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL16904 0.73 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL28468317 0.73 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL12517389 0.72 HSP90AA1 (0.38)
SCHEMBL6512271 0.70 CHRNA7 (0.45)
SCHEMBL8311143 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 EP disclosed
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 US disclosed
US-9458172-B2 Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives VALO HEALTH, INC. 2016-10-04 US disclosed
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Valo Health, LLC 2015-06-25 US disclosed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 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 (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-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP MEN1 3499/4885KMT2A 4426/4885NLRP3 1073/4885
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP MEN1 3499/4885KMT2A 4426/4885NLRP3 1073/4885

“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.