SCHEMBL2177823

SCHEMBL2177823

CCC(=O)N[C@H](C(=O)O)C(NC(=O)OCc1ccccc1)c1c[nH]cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSB P07858 1/20 0.40
CASP1 P29466 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CTRB1 P17538 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
CTSK P43235 2/20 0.38
ECE1 P42892 1/20 0.38

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
SCHEMBL31139078 0.90 TRPM8 (0.46) ATMCTSLCTSSCTSBCASP1
SCHEMBL31139080 0.83 CTSL (0.42) ATMCTSLCTSSCTSBCASP1
SCHEMBL23038201 0.79 ATM (0.50) ATMCTSLCTSSCTRB1CTSK
SCHEMBL10825288 0.77 ATM (0.41) ATMCTSLCTSSCTSBTRPM8
SCHEMBL8455538 0.72 ALDH1A1 (0.43) ATMMEN1KMT2A
SCHEMBL254638 0.71 ITGB3 (0.53) CTSLCTSSCTSBCTSKECE1
SCHEMBL24795018 0.71 ITGB3 (0.53) CTSLCTSSCTSBCTSKECE1
SCHEMBL4178755 0.71 ITGB3 (0.53) CTSLCTSSCTSBCTSKECE1
SCHEMBL6841180 0.71 ATM (0.51) ATMCTSLCTSSCTSBTRPM8
SCHEMBL5162450 0.71 ALDH1A1 (0.47) CTSLCTSSCTSBMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791696-B Amino alcohol derivatives and their therapeutic activities FLAMMA SPA 2015-04-01 CN disclosed
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 ATM 1812/4885CTSL 3799/4885CTSS 4445/4885

“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.