SCHEMBL2848645

SCHEMBL2848645

COC(=O)c1ccc(SC(C)C)c(C(CC(=O)O)C(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 6/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL2852721 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL2855254 0.79 ITGA4 (0.42) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL2855258 0.79 ITGA4 (0.42) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL8011431 0.68 MAPT (0.45) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL27663392 0.68 MAPT (0.45) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL5006583 0.67 KDM4E (0.48) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL23715041 0.67 ALDH1A1 (0.53) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL28857323 0.67 CYP2C9 (0.44) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL28485962 0.66 L3MBTL1 (0.45) KDM4EALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL18525812 0.66 KDM4E (0.53) KDM4EALDH1A1HPGDLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 (1 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 KDM4E 1847/4885ALDH1A1 2963/4885HPGD 2009/4885

“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.