SCHEMBL2153547

SCHEMBL2153547

NC(=O)[C@@H](N)Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PNMT P11086 1/20 0.45
LMNA P02545 3/20 0.45
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
MAP3K14 Q99558 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
POLB P06746 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2153542 1.00 PKM (0.47) PKMNPC1RAB9APPARGPPARA
SCHEMBL30962394 0.86 PNMT (0.50) PNMTLMNANOS3NOS1NOS2
SCHEMBL43977 0.85 PKM (0.58) PKMPPARGPPARALMNANOS3
SCHEMBL43976 0.85 PKM (0.58) PKMPPARGPPARALMNANOS3
SCHEMBL35491891 0.85 PKM (0.58) PKMPPARGPPARALMNANOS3
SCHEMBL29351556 0.85 PKM (0.58) PKMPPARGPPARALMNANOS3
SCHEMBL298903 0.85 PKM (0.58) PKMPPARGPPARALMNANOS3
SCHEMBL16938499 0.84 HDAC8 (0.46) PKMNPC1RAB9APPARGPPARA
SCHEMBL14271140 0.84 SLC6A2 (0.47) PKMNPC1RAB9APPARGPPARA
Hydrochloric Acid SCHEMBL1514957 0.84 PKM (0.56) PKMPPARGPPARALMNANOS3

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
CN-105238825-B The method for producing optical activity phenylalanine compound from cinnamic acid derivative using the phenylalanine lyase from Idiomarina loihiensis DPx控股有限公司 2019-01-04 CN disclosed
EP-1833789-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSM IP ASSETS BV (NL) 2011-07-06 EP disclosed
US-7732621-B2 Process for the preparation of enantiomerically enriched indoline-2-carboxylic acid DSM IP ASSETS B.V. (NL) 2010-06-08 US disclosed
EP-2069518-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSM IP ASSETS BV (NL) 2010-02-03 EP disclosed
EP-2069518-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSMIP Assets B.V. (NL) 2009-06-17 EP disclosed
US-20090043112-A1 Process for the Preparation of Enantiomerically Enriched Indoline-2-Carboxylic Acid DSM IP ASSETS B.V. (NL) 2009-02-12 US disclosed
WO-2008031578-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSM IP ASSETS B.V. (NL) 2008-03-20 WO disclosed
EP-1833789-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSMIP Assets B.V. (NL) 2007-09-19 EP disclosed
WO-2006069799-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSM IP ASSETS B.V. (NL) 2006-07-06 WO disclosed
EP-1676838-A1 Process for the preparation of enantiomerically enriched indoline-2-carboxylic acid DSM IP Assets B.V. (NL) 2006-07-05 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 (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-20090043112-A1 Process for the Preparation of Enantiomerically Enriched Indoline-2-Carboxylic Acid IDO2, IDO1, KYNU PKM 966/4885NPC1 3471/4885RAB9A 2446/4885

“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.