SCHEMBL10055155

SCHEMBL10055155

COC(=O)[C@@H](C)CNC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
BCAT2 O15382 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 3/20 0.34
MAPT P10636 2/20 0.34
FOLH1 Q04609 1/20 0.34
CA12 O43570 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESRRB O95718 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
SCHEMBL15481501 1.00 CA14 (0.39) CA14SMN1; SMN2BCAT2L3MBTL1TSHR
SCHEMBL10056281 1.00 CA14 (0.39) CA14SMN1; SMN2BCAT2L3MBTL1TSHR
SCHEMBL23978831 0.83 CAD (0.43) BCAT2TSHRCYP2D6CYP2C19HTT
SCHEMBL11372810 0.82 CA14 (0.35) CA14SMN1; SMN2L3MBTL1TSHRMAPT
SCHEMBL5813352 0.80 MTNR1A (0.44) CA14SMN1; SMN2CA12CYP2D6CYP2C19
SCHEMBL20214953 0.80 CYP2C19 (0.56) CA14SMN1; SMN2L3MBTL1TSHRMAPT
SCHEMBL28427577 0.80 BCAT2 (0.37) CA14SMN1; SMN2BCAT2L3MBTL1TSHR
SCHEMBL23978645 0.80 MTNR1A (0.44) CA14SMN1; SMN2CA12CYP2D6CYP2C19
SCHEMBL16157279 0.79 BCAT2 (0.39) BCAT2TSHRCYP2D6CYP2C19CA9
SCHEMBL10130073 0.78 GFPT1 (0.41) CA14SMN1; SMN2BCAT2L3MBTL1TSHR

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
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
WO-2013089212-A1 SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2013-06-20 WO disclosed
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 WO disclosed
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 US disclosed
US-8071617-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2011-12-06 US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 US disclosed
US-20110124669-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 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 (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-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CA14 4604/4885SMN1; SMN2 2217/4885BCAT2 3504/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 CA14 4604/4885SMN1; SMN2 2217/4885BCAT2 3504/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CA14 4604/4885SMN1; SMN2 2217/4885BCAT2 3504/4885
US-20110124669-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 CA14 4604/4885SMN1; SMN2 2217/4885BCAT2 3504/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 CA14 4604/4885SMN1; SMN2 2217/4885BCAT2 3504/4885

“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.