SCHEMBL2645595

SCHEMBL2645595

CCS(=O)(=O)c1ccccc1[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.50
PLCG1 P19174 1/20 0.40
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
COMT P21964 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSB P07858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL28680071 0.85 PSIP1 (0.59) PSIP1PLCG1ADRA2AADRA2CADRA1D
SCHEMBL11757324 0.83 PSIP1 (0.39) PSIP1PLCG1ADRA2AADRA2CADRA1D
SCHEMBL9114761 0.79 ALDH1A1 (0.48) PSIP1ALDH1A1LMNAHTTMAPT
SCHEMBL4697110 0.79 ALOX5AP (0.39) PSIP1PLCG1ALDH1A1TP53MAPT
SCHEMBL10179924 0.76 CTSB (0.53) PSIP1PLCG1ADRA2AADRA2CADRA1D
SCHEMBL3882288 0.76 PSIP1 (0.50) PSIP1PLCG1ALDH1A1LMNATP53
SCHEMBL25464041 0.76 PSIP1 (0.45) PSIP1PLCG1ADRA2AADRA2CADRA1D
SCHEMBL13370774 0.76 HTR6 (0.58) PSIP1TP53SMN1; SMN2HTR6CA1
SCHEMBL10179614 0.76 PSIP1 (0.45) PSIP1PLCG1LMNACYP1A2CYP3A4
SCHEMBL670704 0.75 BCAT2 (0.41) ADRA1AALDH1A1LMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010536773-A 2010-12-02 JP claimed
EP-2185570-A2 NOVEL ACTIVATORS OF GLUCOKINASE Metabasis Therapeutics, Inc. (US) 2010-05-19 EP claimed
WO-2009023718-A2 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2009-02-19 WO claimed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
EP-2185570-A2 NOVEL ACTIVATORS OF GLUCOKINASE Metabasis Therapeutics, Inc. (US) 2010-05-19 EP disclosed
WO-2009023718-A2 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2009-02-19 WO disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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 (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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 PSIP1 3785/4885PLCG1 4631/4885ADRA2A 1651/4885

“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.