SCHEMBL177429

SCHEMBL177429

CCCOc1ccc(C(=O)O)cc1C#N

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.84
HPGD P15428 1/20 0.84
KMT2A Q03164 1/20 0.54
XDH P47989 1/20 0.53

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
SCHEMBL25933542 0.93 ALDH1A1 (0.92) ALDH1A1HPGD
SCHEMBL12432349 0.92 ALDH1A1 (1.00) ALDH1A1HPGD
SCHEMBL8943492 0.92 ALDH1A1 (1.00) ALDH1A1HPGD
SCHEMBL16188294 0.88 ALDH1A1 (0.67) ALDH1A1HPGDXDH
SCHEMBL1402221 0.88 ALDH1A1 (0.74) ALDH1A1HPGDXDH
SCHEMBL2590779 0.87 ALDH1A1 (0.73) ALDH1A1HPGDXDH
SCHEMBL30629073 0.87 ALDH1A1 (0.73) ALDH1A1HPGDXDH
SCHEMBL25315406 0.87 ALDH1A1 (0.72) ALDH1A1HPGDXDH
SCHEMBL4720152 0.86 ALDH1A1 (0.64) ALDH1A1HPGDXDH
Biphenyl SCHEMBL11433077 0.86 ALDH1A1 (0.88) ALDH1A1HPGD

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630738-A1 PROCESS FOR THE PRODUCTION OF OZANIMOD Egis Gyógyszergyár Zrt. (HU) 2020-04-08 EP claimed
WO-2018215807-A1 PROCESS FOR THE PRODUCTION OF OZANIMOD EGIS GYÓGYSZERGYÁR ZRT. (HU) 2018-11-29 WO claimed
CN-110997645-A Preparation method of ozanimod 埃吉斯制药公司 2020-04-10 CN disclosed
EP-3630738-A1 PROCESS FOR THE PRODUCTION OF OZANIMOD Egis Gyógyszergyár Zrt. (HU) 2020-04-08 EP disclosed
WO-2018215807-A1 PROCESS FOR THE PRODUCTION OF OZANIMOD EGIS GYÓGYSZERGYÁR ZRT. (HU) 2018-11-29 WO disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 US disclosed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
EP-1942899-A2 MITOTIC KINESIN INHIBITORS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 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 (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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 ALDH1A1 3172/4885HPGD 2567/4885KMT2A 2386/4885
US-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885HPGD 2681/4885KMT2A 1501/4885

“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.