SCHEMBL4386293

SCHEMBL4386293

COC[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.58
SYK P43405 1/20 0.52
ATM Q13315 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
ALOX15 P16050 1/20 0.50
CTSK P43235 3/20 0.49
KYNU Q16719 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
CTSL P07711 3/20 0.48
CTSS P25774 3/20 0.48
ELANE P08246 1/20 0.48

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
SCHEMBL4386297 1.00 CTRB1 (0.58) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL15889678 0.91 CTRB1 (0.52) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL1051345 0.89 SYK (0.62) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL16222667 0.89 SYK (0.62) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL4829896 0.88 CTRB1 (0.68) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL24461288 0.87 CTRB1 (0.57) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL29012282 0.87 CTRB1 (0.57) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL16153728 0.87 CTRB1 (0.57) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL25486565 0.87 CTRB1 (0.72) CTRB1SYKATMALDH1A1TRPM8
SCHEMBL10187034 0.87 CTRB1 (0.59) CTRB1SYKATMALDH1A1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-17 US disclosed
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-17 US disclosed
EP-2880032-B1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-05 EP disclosed
WO-2015116060-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 WO disclosed
US-8901305-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-8901305-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-20140038999-A1 Aryl Lactam Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 US disclosed
WO-2014022167-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 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 (3 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-20140038999-A1 Aryl Lactam Kinase Inhibitors AAK1, ADCK1, ANKK1 CTRB1 3831/4885SYK 558/4885ATM 264/4885
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS AAK1, NCK1, ANKK1 CTRB1 3306/4885SYK 865/4885ATM 702/4885
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 CTRB1 64/4885SYK 3299/4885ATM 3418/4885

“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.