SCHEMBL2175985

SCHEMBL2175985

O=C(CCNC(=O)OCc1ccccc1)N[C@H](CO)Cc1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.47
▸ ECE1 P42892 1/20 0.47
▸ HRAS P01112 3/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NMBR P28336 2/20 0.45

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
SCHEMBL2276192 0.79 QPCT (0.56) —
SCHEMBL11464237 0.78 MME (0.55) MMEECE1HRASFNTAFNTB
SCHEMBL2177294 0.78 FAAH (0.50) —
SCHEMBL28774675 0.77 MME (0.61) MMEECE1HRASFNTAFNTB
SCHEMBL2199277 0.76 FAAH (0.47) MEN1KMT2A
SCHEMBL14152015 0.76 CYP3A4 (0.56) MEN1KMT2A
SCHEMBL2178184 0.76 CYP3A4 (0.56) MEN1KMT2A
SCHEMBL2195381 0.76 CYP3A4 (0.56) MEN1KMT2A
SCHEMBL28366545 0.76 MME (0.61) MMEECE1HRASFNTAFNTB
SCHEMBL9230979 0.76 MME (0.69) MMEECE1HRASFNTAFNTB

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-8623900-B2 Amino alcohol derivatives and their therapeutic activities FLAMMA S.P.A. (IT) 2014-01-07 — — US claimed
EP-2519507-B1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES FLAMMA SPA (IT) 2013-10-16 — — EP claimed
US-20120316212-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES UNIVERSITA DEGLI STUDI DI MILANO (IT) 2012-12-13 — — US claimed
EP-2519507-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES Flamma S.P.A. (IT) 2012-11-07 — — EP claimed
WO-2011080139-A1 AMINO ALCOHOL DERIVATIVES AND THEIR THERAPEUTIC ACTIVITIES FLAMMA S.P.A. (IT) 2011-07-07 — — WO claimed
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 MME 2923/4885ECE1 1806/4885HRAS 3692/4885

“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.

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