SCHEMBL2153053

SCHEMBL2153053

COC(=O)C(=Cc1ccccc1Br)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.44
HSD11B1 P28845 1/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.36
BCHE P06276 1/20 0.36
LMNA P02545 2/20 0.36
NFE2L2 Q16236 1/20 0.36
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL2153050 1.00 LY96 (0.44) LY96HSD11B1POLBMEN1KMT2A
SCHEMBL2152900 0.84 HSD11B1 (0.46) LY96HSD11B1POLBMEN1KMT2A
SCHEMBL2152897 0.84 HSD11B1 (0.46) LY96HSD11B1POLBMEN1KMT2A
SCHEMBL2153381 0.82 MAOB (0.43) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL2153378 0.82 MAOB (0.43) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL13906648 0.82 CYP1A2 (0.46) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL27533555 0.82 KDM4E (0.54) LY96POLBMEN1KMT2AMAPT
SCHEMBL15369550 0.81 LMNA (0.47) POLBKMT2AMAPTNPSR1ALDH1A1
SCHEMBL29138776 0.79 MTNR1A (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5122754 0.79 CA12 (0.42) POLBMEN1KMT2AALDH1A1LMNA

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
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
CN-100482671-C Chiral monophosphorous ligand, synthetic method and its use SHANGHAI INST ORGANIC CHEM (CN) 2009-04-29 CN 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
EP-1833789-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSMIP Assets B.V. (NL) 2007-09-19 EP disclosed
CN-1304403-C Monophosphine ligand having C2 symmetric skeleton, synthesis method and application SHANGHAI INST ORGANIC CHEM (CN) 2007-03-14 CN 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
CN-1651443-A Monophosphine ligand having C2 symmetric skeleton, synthesis method and application SHANGHAI INST ORGANIC CHEM (CN) 2005-08-10 CN disclosed
CN-1616470-A Chiral monophosphorous ligand, synthetic method and its use SHANGHAI INST ORGANIC CHEM (CN) 2005-05-18 CN 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 LY96 4011/4885HSD11B1 772/4885POLB 2006/4885

“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.