SCHEMBL2407458

SCHEMBL2407458

CCC1(C(=O)O)CCC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
CPB2 Q96IY4 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
CETP P11597 1/20 0.30
KCNA3 P22001 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
FFAR3 O14843 1/20 0.30

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
SCHEMBL18191201 0.89 CYP2C19 (0.38) CYP2C19MEN1KMT2ACETPTSHR
SCHEMBL165219 0.88 CYP2C19 (0.34) CYP2C19CPB2MEN1CYP2C9KMT2A
SCHEMBL7971082 0.83 CYP2C19 (0.33) CYP2C19CETPKDM4EALDH1A1TSHR
SCHEMBL5728858 0.79 HDAC1 (0.33) CPB2MEN1KMT2A
SCHEMBL6056602 0.78 CPB2 (0.34) CYP2C19CPB2MEN1CYP2C9KMT2A
SCHEMBL9526683 0.77 ATM (0.41)
SCHEMBL19767 0.76 CPB2 (0.35) CYP2C19CPB2MEN1CYP2C9KMT2A
Hydrochloric Acid SCHEMBL9527859 0.75 ATM (0.40)
SCHEMBL15031561 0.75
SCHEMBL17049040 0.73 CPB2 (0.39) CPB2MEN1KMT2ACETPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed
EP-3138842-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co., Ltd. (CN) 2017-03-08 EP disclosed
EP-2538784-B1 BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
US-8895596-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2014-11-25 US disclosed
WO-2013043826-A1 TRICYCLIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS ABBVIE INC. (US) 2013-03-28 WO disclosed
EP-2538784-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2013-01-02 EP disclosed
US-20120309736-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DONME CORP 2012-12-06 US disclosed
WO-2011106273-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-01 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 (1 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-20120309736-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CYP2C19 2611/4885CPB2 1798/4885MEN1 3712/4885

“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.