SCHEMBL444208

SCHEMBL444208

[CH2]/C=C/OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 5/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA7 P43166 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAOB P27338 2/20 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
SCHEMBL444209 1.00 TSHR (0.48) TSHRIDO1AGXTALDH1A1TRPA1
SCHEMBL1933327 0.81 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL11798275 0.79 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL1257815 0.78 IDO1 (0.46) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL22297344 0.78 TSHR (0.44) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL17615200 0.78 TSHR (0.44) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL23827882 0.77 IDO1 (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL6731394 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL28993722 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL23827883 0.77 IDO1 (0.50) TSHRIDO1AGXTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787576-B2 Method for the preparation of a coating comprising oligomeric alkynes ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2020-09-29 US disclosed
EP-3599239-A1 METAL ORGANIC FRAMEWORKS AND METHODS FOR USING THEREOF Ecole Polytechnique Federale De Lausanne (EPFL) EPFL-TTO (CH) 2020-01-29 EP disclosed
US-20190048202-A1 METHOD FOR THE PREPARATION OF A COATING COMPRISING OLIGOMERIC ALKYNES ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2019-02-14 US disclosed
US-20180171152-A1 METHOD FOR THE PREPARATION OF A COATING ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2018-06-21 US disclosed
EP-3303482-A1 METHOD FOR THE PREPARATION OF A COATING Ecole Polytechnique Fédérale de Lausanne (EPFL) EPFL-TTO (CH) 2018-04-11 EP disclosed
WO-2016189047-A1 METHOD FOR THE PREPARATION OF A COATING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-12-01 WO disclosed
WO-2016174266-A2 METHOD FOR THE PREPARATION OF A COATING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-11-03 WO disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
EP-0960096-A1 SUBSTITUTED $g(b)-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-12-01 EP disclosed
EP-0946478-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP disclosed
WO-1999038844-A1 METHOD FOR PREPARING AN N-[(ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-08-05 WO disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
WO-1999031491-A1 METHOD AND REAGENTS FOR THE QUANTIFICATION OF SOLID-PHASE REACTIONS USING FLUORINE NMR AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-06-24 WO disclosed
WO-1999025752-A1 FUNCTIONALIZED RESIN FOR THE SYNTHESIS OF AMIDES AND PEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-05-27 WO disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1998032734-A1 SUBSTITUTED β-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-30 WO disclosed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 WO disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 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 (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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD TSHR 4389/4885IDO1 1045/4885AGXT 2192/4885

“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.