SCHEMBL317871

SCHEMBL317871

COC(=O)c1ccc(CCCBr)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PRNP P04156 1/20 0.44
RECQL P46063 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL6978193 0.94 HPGD (0.59) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL7613895 0.90 LMNA (0.49) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL348559 0.86 LMNA (0.51) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL7211399 0.85 HPGD (0.54) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL2162296 0.85 HPGD (0.52) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL2325077 0.85 HPGD (0.50) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL9510834 0.84 HPGD (0.47) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL2160994 0.84 HPGD (0.51) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL2162352 0.84 HPGD (0.51) HPGDNPSR1LMNAPPARGNCOA2
SCHEMBL2162982 0.84 HPGD (0.55) HPGDNPSR1LMNAPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884624-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2024-01-30 US disclosed
US-20230050318-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2023-02-16 US disclosed
US-20230050318-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2023-02-16 US disclosed
US-11345690-B2 Methods of synthesizing a difluorolactam analog CAYMAN CHEMICAL COMPANY, INC. (US) 2022-05-31 US disclosed
US-11345690-B2 Methods of synthesizing a difluorolactam analog CAYMAN CHEMICAL COMPANY, INC. (US) 2022-05-31 US disclosed
US-20220127252-A9 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL CO INC (US) 2022-04-28 US disclosed
US-20220127252-A9 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL CO INC (US) 2022-04-28 US disclosed
US-11066361-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2021-07-20 US disclosed
US-11066361-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2021-07-20 US disclosed
CN-107802623-B Difluorolactam compositions for EP 4-mediated bone-related diseases and disorders 开曼化学股份有限公司 2020-10-30 CN disclosed
EP-1109560-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-27 EP disclosed
US-6207670-B1 USE TO INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICROORGANISMS SUCH AS BACTERIA, YEAST AND FUNGI AGOURON PHARMACEUTICALS, INC. 2001-03-27 US disclosed
WO-2000013688-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed
EP-0674516-B1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMA (US) 2000-02-02 EP disclosed
US-5945427-A INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICRORGANISMS SUCH AS FUNGI, BACTERIA AND YEASTS; TREATMENT FOR TUMORS, INFLAMMATION, PSORIASIS; IMMUNOSUPPRESSIVE ACTIVITY AGOURON PHARMACEUTICALS, INC. (US) 1999-08-31 US disclosed
US-5739141-A Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds AGOURON PHARMACEUTICALS, INC. (US) 1998-04-14 US disclosed
US-5726312-A Methods for preparing antiproliferative 5-substituted pyrimidone compounds AGOURON PHARMACEUTICALS, INC. (US) 1998-03-10 US disclosed
EP-0674516-A4 1995-10-25 EP disclosed
EP-0674516-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1995-10-04 EP disclosed
WO-1994013295-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1994-06-23 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 (5 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-20230050318-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 HPGD 499/4885NPSR1 327/4885LMNA 2913/4885
US-11066361-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions PTGER4, PTGER1, PTGER3 HPGD 499/4885NPSR1 327/4885LMNA 2913/4885
US-11884624-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions PTGER4, PTGER1, PTGER3 HPGD 499/4885NPSR1 327/4885LMNA 2913/4885
US-11345690-B2 Methods of synthesizing a difluorolactam analog PTGER4, PTGER1, PTGIR HPGD 427/4885NPSR1 234/4885LMNA 2646/4885
US-20220127252-A9 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG PTGER4, PTGER1, PTGIR HPGD 427/4885NPSR1 234/4885LMNA 2646/4885

“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.