SCHEMBL3626570

SCHEMBL3626570

[C]#CC#CC#CCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.52
PTPN7 P35236 4/20 0.52
SELP P16109 1/20 0.42
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2085457 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL2084587 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL959414 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL2087915 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL3623709 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL3628294 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL2087982 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL2085108 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL10891331 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL3623431 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740724-B1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO PHARMACEUTICAL CO (JP) 2016-12-28 EP disclosed
US-9085523-B2 Compound for treating cartilage disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2015-07-21 US disclosed
US-20140171388-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2014-06-19 US disclosed
EP-2740724-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO Pharmaceutical Co., Ltd. (JP) 2014-06-11 EP disclosed
US-7858650-B2 Medicinal composition for inhalation ONO PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-7402696-B2 Benzene compounds AJINOMOTO CO., INC. (JP) 2008-07-22 US disclosed
US-20080114043-A1 Medicinal Composition for Inhalation ONO PHARMACEUTICAL CO., LTD (JP) 2008-05-15 US disclosed
EP-1806148-A1 MEDICINAL COMPOSITION FOR INHALATION ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
US-20070105899-A1 Benzene compounds AJINOMOTO CO., INC. (JP) 2007-05-10 US disclosed
US-6812252-B2 ACYLSULFONAMIDE DERIVATIVES CONTAINING FLUOROSUBSTITUTEDPHENYLETHYNYL GROUP HAVING A HYPOGLYCEMIC EFFECT AND FREE OF THE SIDE EFFECT AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
US-20030191323-A1 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 2003-10-09 US disclosed
US-20030181764-A1 Acylsulfonamide derivatives AJINOMOTO CO. INC (JP) 2003-09-25 US disclosed
US-20030162818-A1 Acylsulfonamide derivative AJINOMOTO CO. INC. (JP) 2003-08-28 US disclosed
EP-1316548-A1 ACYLSULFONAMIDE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-06-04 EP disclosed
US-6555584-B1 Acetyl-coa carboxylase inhibitors AJINOMOTO CO., INC. (JP) 2003-04-29 US disclosed
EP-1300142-A1 HYPOGLYCEMICS Ajinomoto Co., Inc. (JP) 2003-04-09 EP disclosed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP 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 (6 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-20080114043-A1 Medicinal Composition for Inhalation PTGER2, PTGER1, PTGIS HMGCR 2050/4885PTPN7 2925/4885SELP 1502/4885
US-20030181764-A1 Acylsulfonamide derivatives DPP4, SLC5A2, GLP1R HMGCR 553/4885PTPN7 704/4885SELP 3476/4885
US-20030162818-A1 Acylsulfonamide derivative ACSS2, ACACA, FASN HMGCR 136/4885PTPN7 2202/4885SELP 4533/4885
US-20140171388-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS COL2A1, COL1A1, ADAMTS1 HMGCR 110/4885PTPN7 3505/4885SELP 1004/4885
US-20030191323-A1 Hypoglycemic agent GPR119, IAPP, SLC5A2 HMGCR 146/4885PTPN7 1405/4885SELP 4015/4885
US-20070105899-A1 Benzene compounds ACACB, ACACA, FABP4 HMGCR 276/4885PTPN7 2913/4885SELP 3253/4885

“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.