SCHEMBL2897780

SCHEMBL2897780

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ IDO1 P14902 2/20 0.48
▸ MC4R P32245 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HDAC8 Q9BY41 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ XBP1 P17861 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
SCHEMBL1521458 1.00 SMN1; SMN2 (0.49) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL17513301 1.00 SMN1; SMN2 (0.49) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL2524063 0.88 SMN1; SMN2 (0.51) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL2524061 0.88 SMN1; SMN2 (0.51) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL4783076 0.88 SMN1; SMN2 (0.51) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL5758739 0.87 SMN1; SMN2 (0.50) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL29500819 0.86 CTSL (0.42) SMN1; SMN2TP53IDO1ALDH1A1HPGD
SCHEMBL1614505 0.83 MC4R (0.55) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL4288943 0.83 MC4R (0.55) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL29726536 0.83 MC4R (0.55) SMN1; SMN2TP53IDO1MC4RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 — — US disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 — — US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — US disclosed
US-7834017-B2 Diamine-containing, tetra-substituted piperazine compounds having identical 1- and 4-substituents PALATIN TECHNOLOGIES, INC. (US) 2010-11-16 — — US disclosed
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 — — WO disclosed
US-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents PALATIN TECHNOLOGIES, INC. (US) 2008-03-20 — — 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 (3 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-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents NPY1R, MC5R, MC4R SMN1; SMN2 1190/4885TP53 4664/4885IDO1 725/4885
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 SMN1; SMN2 1086/4885TP53 1746/4885IDO1 2928/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 SMN1; SMN2 1086/4885TP53 1746/4885IDO1 2928/4885

“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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