SCHEMBL20513851

SCHEMBL20513851

COCCOc1ccc(-c2nccc(C(OC)OC)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ KMT2A Q03164 10/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ MAPT P10636 8/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ MEN1 O00255 6/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL20745064 0.96 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL20745058 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL16816242 0.78 SMN1; SMN2 (0.63) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL16815686 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL16815848 0.76 L3MBTL1 (0.41) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL18342624 0.76 KMT2A (0.44) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL20745566 0.75 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ARAB9AMAPTL3MBTL1
SCHEMBL22262748 0.73 MAPT (0.45) SMN1; SMN2KMT2AMAPTL3MBTL1MEN1
SCHEMBL20745390 0.73 MAPT (0.45) SMN1; SMN2KMT2AMAPTL3MBTL1MEN1
SCHEMBL13554406 0.71 CYP3A4 (0.50) MAPTKDM4ECHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709334-B Novel amino acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-04-13 — — CN disclosed
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-10-29 — — US disclosed
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 — — US disclosed
EP-3313850-B1 NEW AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-10-03 — — EP 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 (2 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-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, ARG2, ANXA5 SMN1; SMN2 849/4885KMT2A 3663/4885RAB9A 305/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 SMN1; SMN2 849/4885KMT2A 3663/4885RAB9A 305/4885

“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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