SCHEMBL7307706

SCHEMBL7307706

O=C(O)[C@@H](Cc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.56
PPARG P37231 18/20 0.55
PPARA Q07869 15/20 0.55

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
SCHEMBL7321720 1.00 SRR (0.56) SRRPPARGPPARA
SCHEMBL7307715 1.00 SRR (0.56) SRRPPARGPPARA
SCHEMBL14498310 0.88 PPARG (0.64) PPARGPPARA
SCHEMBL16754029 0.85 MEN1 (0.51) SRRPPARGPPARA
SCHEMBL8711993 0.85 PPARG (0.44) SRRPPARGPPARA
SCHEMBL8711997 0.85 PPARG (0.44) SRRPPARGPPARA
SCHEMBL2943750 0.85 MEN1 (0.51) SRRPPARGPPARA
SCHEMBL6218135 0.84 PPARG (0.48) SRRPPARGPPARA
SCHEMBL6515182 0.84 PPARG (0.50) SRRPPARGPPARA
SCHEMBL7425913 0.84 PPARG (0.50) SRRPPARGPPARA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
EP-0835109-A4 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5744486-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1998-04-28 US disclosed
EP-0835109-A1 PYRIDINONE-THROMBIN INHIBITORS Merck & Co., Inc. (US) 1998-04-15 EP disclosed
US-5668289-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1997001338-A1 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-01-16 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-20170305917-A1 COMPOUNDS F11, F12, F10 SRR 1809/4885PPARG 3354/4885PPARA 4608/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 SRR 1772/4885PPARG 4066/4885PPARA 4576/4885

“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.