SCHEMBL6770488

SCHEMBL6770488

CSc1ncn2cc(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.34
ESR1 P03372 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
ABCC2 Q92887 1/20 0.31

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
SCHEMBL6895949 1.00 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AABCC2
SCHEMBL6893606 1.00 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AABCC2
SCHEMBL6772192 1.00 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4AABCC2
SCHEMBL7728165 0.92 ABCC2 (0.34) ABCC2
SCHEMBL6767979 0.92 CACNA1C (0.35) CACNA1CESR1PTGS1PDE4AABCC2
SCHEMBL6771009 0.90 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A
SCHEMBL6622856 0.89 ESR1 (0.33) CACNA1CESR1PTGS1PDE4A
SCHEMBL6771850 0.89 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A
SCHEMBL6624812 0.88 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A
SCHEMBL6772792 0.88 CACNA1C (0.34) CACNA1CESR1PTGS1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2014-08-14 US disclosed
US-7482445-B2 Crystalline carbapenem intermediate MEIJI SEIKA KAISHA, LTD. (JP) 2009-01-27 US disclosed
US-20070167620-A1 Crystalline carbapenem intermediate MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-19 US disclosed
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 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 (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-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CACNA1C 1984/4885ESR1 3005/4885PTGS1 120/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 CACNA1C 3729/4885ESR1 4489/4885PTGS1 1759/4885
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 CACNA1C 1855/4885ESR1 4807/4885PTGS1 2945/4885
US-20070167620-A1 Crystalline carbapenem intermediate TBKBP1, RPS6KB1, TNKS1BP1 CACNA1C 3455/4885ESR1 4749/4885PTGS1 3054/4885

“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.