SCHEMBL2176147

SCHEMBL2176147

CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ACE P12821 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
MBTPS1 Q14703 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
S1PR1 P21453 1/20 0.41
TYR P14679 1/20 0.41

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
SCHEMBL28011820 0.90 BMP1 (0.48) BMP1MEN1KMT2AL3MBTL1HTT
SCHEMBL2177818 0.90 BMP1 (0.48) BMP1MEN1KMT2AL3MBTL1HTT
SCHEMBL19051462 0.87 BMP1 (0.54) BMP1HTTPOLB
SCHEMBL11338769 0.82 MAPK1 (0.46) ALDH1A1MAPK1
SCHEMBL6130220 0.81 HDAC6 (0.39) KMT2AL3MBTL1MAPTALDH1A1TP53
SCHEMBL9828822 0.80 MAPK1 (0.45) ALDH1A1MAPK1
SCHEMBL9828841 0.80 MAPK1 (0.45) ALDH1A1MAPK1
SCHEMBL7030418 0.80 CTSL (0.50) TYR
SCHEMBL29401219 0.80 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1TRPM8
Water SCHEMBL11367778 0.79 MAPK1 (0.44) ALDH1A1MAPK1

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
US-8623900-B2 Amino alcohol derivatives and their therapeutic activities FLAMMA S.P.A. (IT) 2014-01-07 US disclosed
EP-2519507-B1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES FLAMMA SPA (IT) 2013-10-16 EP disclosed
US-20120316212-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES UNIVERSITA DEGLI STUDI DI MILANO (IT) 2012-12-13 US disclosed
EP-2519507-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES Flamma S.P.A. (IT) 2012-11-07 EP disclosed
WO-2011080139-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES FLAMMA S.P.A. (IT) 2011-07-07 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 (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-20120316212-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES ADH1A, ADH5, ADH1C BMP1 4746/4885MEN1 4864/4885KMT2A 1853/4885

“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.