SCHEMBL3607604

SCHEMBL3607604

NC(C(=O)O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
MEN1 O00255 3/20 0.50
CYP2C9 P11712 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 2/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
GRM4 Q14833 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
GRM1 Q13255 3/20 0.47

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
SCHEMBL20514183 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL34468331 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL4884591 0.84 DHODH (0.52) SLC6A2RXRARXRBRXRG
SCHEMBL8238614 0.82 PTGS2 (0.59) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL7869067 0.82 PTGS2 (0.59) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL3621002 0.82 PTGS2 (0.59) HSD17B10TDP1MEN1CYP2C9KMT2A
Phenylglycine SCHEMBL157180 0.81 CYP2D6 (0.56) HSD17B10TDP1MEN1CYP2C9KMT2A
Phenylglycine SCHEMBL31402004 0.81 CYP2D6 (0.56) HSD17B10TDP1MEN1CYP2C9KMT2A
Phenylglycine SCHEMBL11576917 0.81 CYP2D6 (0.56) HSD17B10TDP1MEN1CYP2C9KMT2A
Phenylglycine SCHEMBL159420 0.81 CYP2D6 (0.56) HSD17B10TDP1MEN1CYP2C9KMT2A

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 11 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
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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 (5 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R HSD17B10 1404/4885TDP1 767/4885MEN1 1746/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R HSD17B10 1383/4885TDP1 957/4885MEN1 2373/4885
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, ARG2, ANXA5 HSD17B10 4447/4885TDP1 3117/4885MEN1 2627/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R HSD17B10 1404/4885TDP1 767/4885MEN1 1746/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 HSD17B10 4447/4885TDP1 3117/4885MEN1 2627/4885

“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.