SCHEMBL3628879

SCHEMBL3628879

CCCCCC(=O)CP(=O)(O)OCC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARD Q03181 1/20 0.42
LPAR3 Q9UBY5 5/20 0.41
LPAR1 Q92633 3/20 0.41
LPAR2 Q9HBW0 3/20 0.41
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
LPAR6 P43657 1/20 0.40
LPAR4 Q99677 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
ENPP2 Q13822 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL4942146 0.98 MAPT (0.46) MAPTKMT2APPARDLPAR3LPAR1
SCHEMBL7714481 0.94 PPARD (0.44) PPARDLPAR3LPAR1LPAR2CES2
SCHEMBL8581475 0.83 MAPT (0.44) MAPTKMT2APPARDCES2CES1
SCHEMBL7616579 0.83 KMT2A (0.44) MAPTKMT2APPARDCES2CES1
SCHEMBL11875238 0.82 TSHR (0.49) MAPTKMT2ALPAR3LPAR1LPAR2
SCHEMBL10431817 0.81 KMT2A (0.47) MAPTKMT2APPARDCES2CES1
SCHEMBL4942141 0.81 KMT2A (0.47) MAPTKMT2APPARDCES2CES1
SCHEMBL9620427 0.80 TSHR (0.51) MAPTKMT2ALPAR3LPAR1LPAR2
SCHEMBL3002275 0.78 KMT2A (0.50) MAPTKMT2APPARDLPAR3LPAR2
SCHEMBL3929518 0.76 PPARD (0.41) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4052407-A ENZYME INHIBITORS, MULTISTAGE GYOGYSZERKUTATO INTEZET (HU) 1977-10-04 US claimed
US-20190248725-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2019-08-15 US disclosed
US-10322990-B2 Process for the preparation of treprostinil CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2019-06-18 US disclosed
US-20170313643-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2017-11-02 US disclosed
EP-3204349-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL Chinoin Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2017-08-16 EP disclosed
WO-2016055819-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) 2016-04-14 WO disclosed
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP disclosed
US-8183262-B2 Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US disclosed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
US-5625067-A Cyclopentane ether derivatives, processes for their production, and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
US-4692464-A Novel prostacyclin derivatives and a process for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
US-4610999-A ANTICOAGULANTS, HYPOTENSIVE HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
US-4611000-A ANTICOAGULANTS, HYPOTENSIVE HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
US-4359581-A Process for the production of caracyclin intermediates SCHERING AG (DE) 1982-11-16 US disclosed
US-4309407-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTI-ARTERIOSCLEROTIC A. NATTERMANN & CIE. GMBH (DE) 1982-01-05 US disclosed
US-4052407-A ENZYME INHIBITORS, MULTISTAGE GYOGYSZERKUTATO INTEZET (HU) 1977-10-04 US 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 (4 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-10322990-B2 Process for the preparation of treprostinil PTGIS, PTGIR, THPO MAPT 3990/4885KMT2A 4728/4885PPARD 1371/4885
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 MAPT 658/4885KMT2A 2308/4885PPARD 2070/4885
US-20190248725-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL PTGIS, TFPI, TREH MAPT 4253/4885KMT2A 4557/4885PPARD 2033/4885
US-20170313643-A1 PROCESS FOR THE PREPARATION OF TREPROSTINIL PTGIS, CYP2C19, CYP2F1 MAPT 3440/4885KMT2A 3776/4885PPARD 2638/4885

“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.