Sugi Predict

Sugi Predict / Compounds / SCHEMBL4337340

SCHEMBL4337340

SCHEMBL4337340

O=C(O)c1ccc2c(c1)CCCC2O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM1A O60341 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ SRD5A2 P31213 4/20 0.42
▸ SRD5A1 P18405 3/20 0.42
▸ PGR P06401 1/20 0.42
▸ KMO O15229 1/20 0.41
▸ PYGL P06737 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL4337336 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKDM1ATDP1
SCHEMBL29726906 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTKDM1ATDP1
SCHEMBL29653974 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKDM1ATDP1
SCHEMBL8369178 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKDM1ATDP1
SCHEMBL9055964 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKDM1ATDP1
SCHEMBL5467633 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKDM1ATDP1
SCHEMBL14117297 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKDM1ATDP1
SCHEMBL1726266 0.81 CHRNB2 (0.46) ALDH1A1KDM4EMAPTPGRPYGL
SCHEMBL1726267 0.81 CHRNB2 (0.46) ALDH1A1KDM4EMAPTPGRPYGL
Hydrochloric Acid SCHEMBL12505566 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKDM1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704571-A1 AMINO-PYRIDINE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-12 — — EP claimed
WO-2012151137-A1 AMINO-PYRIDINE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-08 — — WO claimed
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 — — US disclosed
EP-2706852-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-19 — — EP disclosed
EP-2704571-A1 AMINO-PYRIDINE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-12 — — EP disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 — — WO disclosed
WO-2012151137-A1 AMINO-PYRIDINE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-08 — — WO disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 — — US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 — — US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 — — US disclosed
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 — — EP disclosed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 — — EP disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 — — US disclosed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 — — US disclosed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 — — WO disclosed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 — — 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 (4 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 1515/4885KDM4E 1409/4885MAPT 4391/4885
US-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 ALDH1A1 251/4885KDM4E 3668/4885MAPT 2181/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 ALDH1A1 794/4885KDM4E 2511/4885MAPT 3174/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB ALDH1A1 3413/4885KDM4E 4092/4885MAPT 2130/4885

“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.