Sugi Predict

Sugi Predict / Compounds / SCHEMBL356363

SCHEMBL356363

SCHEMBL356363

[Ru].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2A6 P11509 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ WDR5 P61964 1/20 0.41
▸ HPRT1 P00492 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ DNMT1 P26358 1/20 0.36
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ CES1 P23141 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTPN22 Q9Y2R2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
Bromide SCHEMBL7946570 0.98 ALDH1A1 (0.41) ALDH1A1CYP2A6TDP1HSD17B10TSHR
Phosphine SCHEMBL9338516 0.98 ALDH1A1 (0.41) ALDH1A1CYP2A6TDP1HSD17B10TSHR
Fluoride SCHEMBL7948366 0.98 ALDH1A1 (0.41) ALDH1A1CYP2A6TDP1HSD17B10TSHR
Hydrochloric Acid SCHEMBL7943443 0.98 ALDH1A1 (0.41) ALDH1A1CYP2A6TDP1HSD17B10TSHR
Iodide SCHEMBL7946256 0.98 ALDH1A1 (0.41) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL146878 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL29350037 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL29496111 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL5107 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR
SCHEMBL10323632 0.98 ALDH1A1 (0.44) ALDH1A1CYP2A6TDP1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531486-B1 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-06-21 — — EP claimed
US-8969620-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-03-03 — — US claimed
US-8729306-B2 Process for the preparation of nitrogen substituted aminotetralins derivatives UCB PHARMA GMBH (DE) 2014-05-20 — — US claimed
EP-2621893-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB Pharma GmbH (DE) 2013-08-07 — — EP claimed
US-20130190533-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB PHARMA GMBH (DE) 2013-07-25 — — US claimed
EP-2531486-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB Pharma GmbH (DE) 2012-12-12 — — EP claimed
US-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA, S.A. (BE) 2012-11-29 — — US claimed
WO-2012041986-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB PHARMA GMBH (DE) 2012-04-05 — — WO claimed
WO-2011095539-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB PHARMA GMBH (DE) 2011-08-11 — — WO claimed
EP-0275354-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE ARYLACETIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-10-16 — — EP claimed
CN-118307409-A Asymmetric synthesis method of beta-hydroxy acid ester with optical purity 河北悦民生化有限公司 2024-07-09 — — CN disclosed
CN-109071446-B Organic reaction in aqueous solution in the presence of hydroxyalkyl (alkyl) cellulose or alkylcellulose 艾伯维德国有限责任两合公司 2022-06-21 — — CN disclosed
EP-2964384-B1 AQUEOUS HYDROGENATION REACTIONS USING WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION DUDECHEM GMBH (DE) 2022-05-04 — — EP disclosed
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-03-11 — — US disclosed
EP-3784267-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF Arrowhead Pharmaceuticals, Inc. (US) 2021-03-03 — — EP disclosed
US-5187136-A Asymmetric hydrogenation of aromatic-substituted olefins using organorhenium catalyst ETHYL CORPORATION (US) 1993-02-16 — — US disclosed
US-5177250-A Hydrogenation of aromatic-substituted olefins using organoruthenium catalyst ETHYL CORPORATION (US) 1993-01-05 — — US disclosed
US-5118825-A Ruthenium phosphine complex ETHYL CORPORATION (US) 1992-06-02 — — US disclosed
US-5107053-A Ruthenium phosphine complex ETHYL CORPORATION (US) 1992-04-21 — — US disclosed
EP-0275354-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE ARYLACETIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-10-16 — — 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 (3 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-20130190533-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES BCAT2, BCAT1, HNMT ALDH1A1 748/4885CYP2A6 62/4885TDP1 4082/4885
US-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives AADAT, AANAT, ASNS ALDH1A1 1026/4885CYP2A6 200/4885TDP1 2264/4885
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 ALDH1A1 2970/4885CYP2A6 4735/4885TDP1 4795/4885

“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.