SCHEMBL3485839

SCHEMBL3485839

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
KCNQ2 O43526 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
RORC P51449 1/20 0.40
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
F10 P00742 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CNR2 P34972 2/20 0.37

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
SCHEMBL3485495 0.86 KCNQ2 (0.47) KCNQ2KDM4EMAPTMMP2MMP13
SCHEMBL3485857 0.85 PPARG (0.50) KCNQ2KDM4EMAPTF10PTGDR2
SCHEMBL3485512 0.85 KCNQ2 (0.62) KCNQ2CA12CA1CA2CA9
SCHEMBL3485556 0.83 CNR2 (0.52) KCNQ2KDM4EMAPTMMP2MMP13
SCHEMBL13435458 0.82 KCNQ2 (0.48) KCNQ2CA12CA1CA2CA9
SCHEMBL3484832 0.82 KCNQ2 (0.48) KCNQ2KDM4EMAPTMMP2MMP13
SCHEMBL3485770 0.81 KCNQ2 (0.42) KCNQ2KDM4EMMP2MMP13F10
SCHEMBL3485725 0.81 PTGDR2 (0.43) KCNQ2KDM4EF10PTGDR2CNR2
SCHEMBL16933517 0.80 RORC (0.53) RORCPTGDR2CNR2
SCHEMBL3485915 0.78 CYP26A1 (0.46) KCNQ2KDM4EMAPTPTGDR2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 CDK5 903/4885CDK5R1 758/4885KCNQ2 103/4885

“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.