SCHEMBL2153399

SCHEMBL2153399

CCOC(=O)[C@@H](N)Cc1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
TACR1 P25103 2/20 0.43
PIN1 Q13526 1/20 0.41
IDO1 P14902 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
MMP8 P22894 2/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL2153393 1.00 SCN9A (0.47) SCN9ATACR1PIN1IDO1MEN1
SCHEMBL2153002 0.86 OPRK1 (0.44) TACR1IDO1KMT2ANOS3NOS1
SCHEMBL2152997 0.86 OPRK1 (0.44) TACR1IDO1KMT2ANOS3NOS1
Hydrochloric Acid SCHEMBL7261643 0.84 OPRK1 (0.44) TACR1IDO1KMT2ANOS3NOS1
SCHEMBL4330313 0.84 MMP8 (0.48) PIN1MEN1NPC1KMT2ATSHR
SCHEMBL20543723 0.84 SCN9A (0.46) SCN9ATACR1PIN1MEN1NPC1
SCHEMBL21117776 0.84 SCN9A (0.46) SCN9ATACR1PIN1MEN1NPC1
SCHEMBL27552224 0.84 SCN9A (0.46) SCN9ATACR1PIN1MEN1NPC1
SCHEMBL5972398 0.83 MMP8 (0.47) PIN1MEN1NPC1KMT2ATSHR
Hydrochloric Acid SCHEMBL27578028 0.83 SCN9A (0.46) SCN9ATACR1PIN1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140248242-A1 THIOPHOSPHATE NUCLEOSIDES FOR THE TREATMENT OF HCV INDENIX PHARMACEUTICALS LLC 2014-09-04 US 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
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

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-20140248242-A1 THIOPHOSPHATE NUCLEOSIDES FOR THE TREATMENT OF HCV PNP, MTAP, TYMP SCN9A 3357/4885TACR1 1430/4885PIN1 3737/4885
US-20090043112-A1 Process for the Preparation of Enantiomerically Enriched Indoline-2-Carboxylic Acid IDO2, IDO1, KYNU SCN9A 2729/4885TACR1 2504/4885PIN1 14/4885

“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.