SCHEMBL1107406

SCHEMBL1107406

CCOP(=O)(Cc1cnc(C)s1)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNT1 O60563 4/20 0.33
CDK9 P50750 4/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PPARD Q03181 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
FDPS P14324 1/20 0.32
NPY5R Q15761 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
SCHEMBL13771831 0.85 PPARD (0.38) MAPTHTTTSHRKDM4ESLC6A3
SCHEMBL15825675 0.83 TSHR (0.36) MAPTHTTTSHRKDM4ESMN1; SMN2
SCHEMBL1107410 0.82 SMN1; SMN2 (0.51) MAPTHTTTSHRKDM4ESMN1; SMN2
SCHEMBL9891665 0.80 SMN1; SMN2 (0.36) KDM4ESLC6A3SMN1; SMN2HCAR2ALDH1A1
SCHEMBL27401382 0.78 MAPT (0.33) MAPTHTTTSHRKDM4ESMN1; SMN2
SCHEMBL15825687 0.78 TSHR (0.36) MAPTHTTTSHRKDM4ESMN1; SMN2
SCHEMBL1107375 0.72 KDM4E (0.38) TSHRKDM4ESMN1; SMN2HCAR2MEN1
SCHEMBL12250122 0.71 TSHR (0.38) MAPTHTTTSHRPPARD
SCHEMBL8543145 0.71 TSHR (0.38) MAPTHTTTSHRSLC6A3SMN1; SMN2
SCHEMBL972736 0.70 TSHR (0.36) MAPTHTTTSHRKDM4EPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527838-B2 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150336946-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-7645782-B2 Thia-epothilone derivatives for the treatment of cancer Richter, Wolfgang (DE) 2010-01-12 US disclosed
US-7553859-B2 Macrocycles for the treatment of cancer Richter, Wolfgang (DE) 2009-06-30 US disclosed
US-7553859-B2 Macrocycles for the treatment of cancer Richter, Wolfgang (DE) 2009-06-30 US 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 (4 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-20150336946-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT GCK, HK2, GCKR MAPT 4019/4885HTT 4402/4885TSHR 3139/4885
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 MAPT 4834/4885HTT 2786/4885TSHR 1677/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 MAPT 4834/4885HTT 2786/4885TSHR 1677/4885
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 MAPT 3890/4885HTT 1296/4885TSHR 1075/4885

“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.