Sugi Predict

Sugi Predict / Compounds / SCHEMBL2353595

SCHEMBL2353595

SCHEMBL2353595

COC(=O)c1cc(I)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA14 Q9ULX7 3/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ FUT7 Q11130 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7034885 0.83 TTR (0.54) CA12CA1CA2CA7CA9
SCHEMBL30486727 0.83 TTR (0.54) CA12CA1CA2CA7CA9
SCHEMBL4867955 0.82 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL23796581 0.81 CYP3A4 (0.56) CA12CA1CA2CA7CA9
SCHEMBL13779473 0.81 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8395371 0.81 GAA (0.45) CA12CA1CA2CA7CA9
SCHEMBL4523003 0.80 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL9134970 0.80 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL30810326 0.80 KDM4E (0.44) CA12CA1CA2CA7CA9
SCHEMBL25295693 0.80 KDM4E (0.47) GAAKDM4EPOLBACHETSHR

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-20230190792-A1 TOPICAL PREPARATIONS Epitheal Limited (IE) 2023-06-22 — — US disclosed
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 — — US disclosed
EP-2348859-B1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 — — EP disclosed
US-8354454-B2 Prodrugs of oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-01-15 — — US disclosed
US-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME LLC 2011-09-08 — — US disclosed
EP-2348859-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 — — EP disclosed
WO-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 — — WO disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 — — US disclosed
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 — — US disclosed
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 — — US disclosed
WO-2007005531-A2 ALKENYLDIARYLMETHANES, FUSED ANALOGS AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2007-01-11 — — WO disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 — — US disclosed
EP-0348261-B1 Radiohalogenated compounds for site specific labeling CYTOGEN CORP (US) 1993-12-15 — — EP disclosed
US-4966999-A Radiohalogenated compounds for site specific labeling CYTOGEN CORPORATION (US) 1990-10-30 — — US disclosed
EP-0348261-A1 Radiohalogenated compounds for site specific labeling CYTOGEN CORPORATION (US) 1989-12-27 — — EP disclosed
WO-1989011876-A1 RADIOHALOGENATED COMPOUNDS FOR SITE SPECIFIC LABELING CYTOGEN CORPORATION (US) 1989-12-14 — — WO disclosed
US-4060637-A 5-BROMO-N-(N,N'-DIALKYLAMINOALKYL)-O-CRESOTAMIDES PIERRE FABRE SA (FR) 1977-11-29 — — US disclosed
US-3958002-A ADMINISTERING PIERRE FABRE S.A. (FR) 1976-05-18 — — US disclosed
US-3941878-A ASPIRIN, A CRESOTAMIDE PIERRE FABRE S.A. (FR) 1976-03-02 — — US disclosed
US-3940490-A N-ALKYL-5-BROMO-ORTHO-CRESOTAMIDES, ANTICONVULSANT PIERRE FABRE S.A. (FR) 1976-02-24 — — 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 (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-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS CETP, SLCO2B1, OXA1L CA12 3540/4885CA1 3388/4885CA2 3271/4885
US-20230190792-A1 TOPICAL PREPARATIONS SLC39A11, SLC30A5, SLC30A7 CA12 786/4885CA1 1588/4885CA2 826/4885
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof POLRMT, PNP, TYMS CA12 4853/4885CA1 4837/4885CA2 4866/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CA12 2829/4885CA1 4495/4885CA2 1331/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R CA12 3140/4885CA1 4476/4885CA2 1363/4885

“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.