SCHEMBL3871491

SCHEMBL3871491

COc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.76
FFAR1 O14842 9/20 0.70
MDM2 Q00987 4/20 0.69
STING1 Q86WV6 1/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL27797534 0.87 MAPT (0.59) MAPTFFAR1MDM2STING1HTT
SCHEMBL3873527 0.86 MAPT (0.57) MAPTFFAR1MDM2TP53KDM4E
SCHEMBL2339500 0.85 GAA (0.70) MAPTFFAR1MDM2TP53HTT
SCHEMBL27797552 0.84 ALDH1A1 (0.56) MAPTFFAR1MDM2KDM4EALDH1A1
SCHEMBL3871921 0.84 TSHR (0.56) MAPTFFAR1MDM2KDM4EALDH1A1
SCHEMBL2054558 0.82 MDM2 (1.00) MAPTFFAR1MDM2TP53HTT
SCHEMBL2054561 0.82 MDM2 (1.00) MAPTFFAR1MDM2TP53HTT
SCHEMBL2054556 0.82 MDM2 (1.00) MAPTFFAR1MDM2TP53HTT
SCHEMBL2098298 0.82 MDM2 (1.00) MAPTFFAR1MDM2TP53HTT
SCHEMBL29921540 0.82 MDM2 (1.00) MAPTFFAR1MDM2TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US claimed
CN-101686952-A Novel agents of calcium ion channel modulators VM DISCOVERY INC 2010-03-31 CN claimed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US disclosed
CN-101686952-A Novel agents of calcium ion channel modulators VM DISCOVERY INC 2010-03-31 CN disclosed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 EP disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 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-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B MAPT 1266/4885FFAR1 1437/4885MDM2 4582/4885

“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.