SCHEMBL2153012

SCHEMBL2153012

COC(=O)C(N)Cc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.48
HTT P42858 1/20 0.47
RAB9A P51151 3/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PTGS2 P35354 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL1066220 1.00 ALDH1A1 (0.50) ALDH1A1NPC1HTTRAB9APPARG
SCHEMBL4595262 1.00 ALDH1A1 (0.50) ALDH1A1NPC1HTTRAB9APPARG
Hydrochloric Acid SCHEMBL3986125 0.98 ALDH1A1 (0.49) ALDH1A1NPC1HTTRAB9APPARG
Hydrochloric Acid SCHEMBL32677150 0.98 ALDH1A1 (0.49) ALDH1A1NPC1HTTRAB9APPARG
Hydrochloric Acid SCHEMBL1066219 0.98 ALDH1A1 (0.49) ALDH1A1NPC1HTTRAB9APPARG
Hydrochloric Acid SCHEMBL16062182 0.98 ALDH1A1 (0.49) ALDH1A1NPC1HTTRAB9APPARG
SCHEMBL2152835 0.86 EPHX2 (0.48) ALDH1A1NPC1PPARGPPARASLC6A2
SCHEMBL21117782 0.86 EPHX2 (0.48) ALDH1A1NPC1PPARGPPARASLC6A2
SCHEMBL2152834 0.86 EPHX2 (0.48) ALDH1A1NPC1PPARGPPARASLC6A2
SCHEMBL27168302 0.85 ALDH1A1 (0.40) ALDH1A1NPC1HTTPTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833789-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSM IP ASSETS BV (NL) 2011-07-06 EP disclosed
CN-101090886-B Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids DSM IP ASSETS BV 2011-05-18 CN 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
CN-101517089-A Method for producing optically active phenylalanine compound from cinnamic acid derivative using phenylalanine ammonia lyase derived from Idiomarina loihiensis DSM IP ASSETS BV (NL) 2009-08-26 CN 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
CN-101090886-A Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids DSM IP ASSETS BV (NL) 2007-12-19 CN 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
EP-0536262-A4 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORP (US) 1996-08-14 EP disclosed
US-5312828-A Substituted imidazoles having angiotensin II receptor blocking activity SMITHKLINE BEECHAM CORPORATION A CORP. OF PENNSYLVANIA 1994-05-17 US disclosed
US-5248689-A Hypotensive agents, congestive heart failure, renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-09-28 US disclosed
EP-0536262-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP disclosed
EP-0427463-A1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORPORATION (US) 1991-05-15 EP disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 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 ALDH1A1 1148/4885NPC1 3471/4885HTT 1394/4885

“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.