SCHEMBL4904256

SCHEMBL4904256

C[C@H](NC(=O)O)C(=O)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP14 P50281 1/20 0.32
PDF Q9HBH1 1/20 0.30

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
SCHEMBL16761492 1.00 ALDH1A1 (0.32) ALDH1A1CYP2D6CYP2C19JAK2JAK1
SCHEMBL14779910 1.00 ALDH1A1 (0.32) ALDH1A1CYP2D6CYP2C19JAK2JAK1
SCHEMBL22736205 0.80 ALDH1A1 (0.36) ALDH1A1JAK2JAK1JAK3
SCHEMBL16790602 0.80 ALDH1A1 (0.36) ALDH1A1JAK2JAK1JAK3
SCHEMBL17052999 0.78 CNR2 (0.33) ALDH1A1JAK2JAK1JAK3MMP8
SCHEMBL15663456 0.78 FAAH (0.37)
SCHEMBL3154599 0.78 FAAH (0.37)
SCHEMBL288906 0.78 FAAH (0.37)
SCHEMBL2969312 0.76 MMP9 (0.35) ALDH1A1CYP2D6CYP2C19MMP9MMP8
SCHEMBL14365720 0.76 JAK2 (0.31) ALDH1A1JAK2JAK1JAK3

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
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9540366-B2 Ring-fused heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-01-10 US disclosed
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-08 US disclosed
EP-2881394-A1 CONDENSED RING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-06-10 EP disclosed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US 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-20080194536-A1 Cyanoarylamines EDNRA, CYP19A1, HSD17B11 ALDH1A1 445/4885CYP2D6 622/4885CYP2C19 196/4885
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND TRPV1, TRPV2, TRPV3 ALDH1A1 4202/4885CYP2D6 1815/4885CYP2C19 2134/4885

“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.