SCHEMBL2177818

SCHEMBL2177818

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.48
FOLH1 Q04609 4/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
PTGER4 P35408 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ITGB3 P05106 4/20 0.43
ITGA2B P08514 3/20 0.43
ITGAV P06756 1/20 0.43
GAA P10253 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42

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 1.00 BMP1 (0.48) BMP1FOLH1MEN1KMT2AHTT
SCHEMBL2176147 0.90 BMP1 (0.45) BMP1MEN1KMT2AHTTLMNA
SCHEMBL9828822 0.90 MAPK1 (0.45) FOLH1PTGER4ITGB3ITGA2BITGAV
SCHEMBL9828841 0.90 MAPK1 (0.45) FOLH1PTGER4ITGB3ITGA2BITGAV
Water SCHEMBL11367778 0.89 MAPK1 (0.44) FOLH1PTGER4ITGB3ITGA2B
SCHEMBL9828889 0.88 MAPK1 (0.44) FOLH1ITGB3ITGA2BITGAV
SCHEMBL9828875 0.88 MAPK1 (0.44) FOLH1ITGB3ITGA2BITGAV
SCHEMBL24795018 0.87 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL4178755 0.87 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL254638 0.87 ITGB3 (0.53) ITGB3ITGA2BITGAV

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 4746/4885FOLH1 1423/4885MEN1 4864/4885

“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.