SCHEMBL3555266

SCHEMBL3555266

CC1(C)OC(=O)c2cc(C(=O)CBr)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.43
GSK3B P49841 11/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10419639 0.83 CTNNB1 (0.50) PTPN1GSK3BCTNNB1WNT3AGNG2
SCHEMBL1811733 0.82 RAB9A (0.49) ALDH1A1L3MBTL1
SCHEMBL15059366 0.82 S100A4 (0.46) ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL29225754 0.76 TSHR (0.36) PTPN1ALDH1A1ATMSMN1; SMN2L3MBTL1
SCHEMBL12320049 0.74 MAPT (0.45) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3524389 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1
SCHEMBL29690270 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1
SCHEMBL2472619 0.73 MAPT (0.57) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30563103 0.73 GNG2 (0.40) PTPN1GSK3BCTNNB1WNT3AGNG2
SCHEMBL829418 0.73 GNG2 (0.40) PTPN1GSK3BCTNNB1WNT3AGNG2

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 31 patents — showing the first 20. 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
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-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-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-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
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
US-7741491-B2 Diphenylamine-substituted salicylthiazole derivatives and related compounds as phosphotyrosine phosphatase 1B (PTB1B) inhibitors for using as blood-sugar decreasing active ingredients for treating diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
US-7741491-B2 Diphenylamine-substituted salicylthiazole derivatives and related compounds as phosphotyrosine phosphatase 1B (PTB1B) inhibitors for using as blood-sugar decreasing active ingredients for treating diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
US-7741491-B2 Diphenylamine-substituted salicylthiazole derivatives and related compounds as phosphotyrosine phosphatase 1B (PTB1B) inhibitors for using as blood-sugar decreasing active ingredients for treating diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
EP-1771426-B1 DIPHENYLAMINE-SUBSTITUTED SALICYLTHIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOTYROSINE PHOSPHATASE 1B (PTP1B) INHIBITORS FOR USING AS BLOOD-SUGAR DECREASING ACTIVE INGREDIENTS FOR TREATING DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-19 EP disclosed
US-20070191441-A1 DIPHENYLAMINE-SUBSTITUTED SALICYLTHIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOTYROSINE PHOSPHATASE 1B (PTB1B) INHIBITORS FOR USING AS BLOOD-SUGAR DECREASING ACTIVE INGREDIENTS FOR TREATING DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-16 US disclosed
US-20070191441-A1 DIPHENYLAMINE-SUBSTITUTED SALICYLTHIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOTYROSINE PHOSPHATASE 1B (PTB1B) INHIBITORS FOR USING AS BLOOD-SUGAR DECREASING ACTIVE INGREDIENTS FOR TREATING DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-16 US disclosed
US-20070191441-A1 DIPHENYLAMINE-SUBSTITUTED SALICYLTHIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOTYROSINE PHOSPHATASE 1B (PTB1B) INHIBITORS FOR USING AS BLOOD-SUGAR DECREASING ACTIVE INGREDIENTS FOR TREATING DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-16 US disclosed
EP-1771426-A1 DIPHENYLAMINE-SUBSTITUTED SALICYLTHIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOTYROSINE PHOSPHATASE 1B (PTP1B) INHIBITORS FOR USING AS BLOOD-SUGAR DECREASING ACTIVE INGREDIENTS FOR TREATING DIABETES Sanofi-Aventis Deutschland GmbH (DE) 2007-04-11 EP disclosed
WO-2006007959-A1 DIPHENYLAMINE-SUBSTITUTED SALICYLTHIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOTYROSINE PHOSPHATASE 1B (PTP1B) INHIBITORS FOR USING AS BLOOD-SUGAR DECREASING ACTIVE INGREDIENTS FOR TREATING DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-26 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-20070191441-A1 DIPHENYLAMINE-SUBSTITUTED SALICYLTHIAZOLE DERIVATIVES AND RELATED COMPOUNDS AS PHOSPHOTYROSINE PHOSPHATASE 1B (PTB1B) INHIBITORS FOR USING AS BLOOD-SUGAR DECREASING ACTIVE INGREDIENTS FOR TREATING DIABETES PPM1B, PPP1R1B, PPM1D PTPN1 10/4885GSK3B 417/4885CTNNB1 1701/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 PTPN1 1586/4885GSK3B 1749/4885CTNNB1 2133/4885

“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.