SCHEMBL10141907

SCHEMBL10141907

CCC(C)Cc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
SLC6A3 Q01959 3/20 0.37
FBP1 P09467 1/20 0.36
CTSK P43235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACACB O00763 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
HSPA5 P11021 1/20 0.32
HSPA2 P54652 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
Sulfur Dioxide SCHEMBL28594680 0.94 FDPS (0.49) FDPSSLC6A3FBP1CTSKALDH1A1
SCHEMBL21540053 0.85 FDPS (0.46) FDPSSLC6A3FBP1CTSKALDH1A1
SCHEMBL2091929 0.82 FDPS (0.51) FDPSSLC6A3FBP1ALDH1A1PKM
SCHEMBL2091927 0.82 FDPS (0.51) FDPSSLC6A3ALDH1A1PKMTSHR
SCHEMBL104654 0.81
SCHEMBL18948434 0.79 FDPS (0.41) FDPSSLC6A3CTSKTLR7HSPA5
SCHEMBL20995405 0.79 FDPS (0.41) FDPSSLC6A3CTSKTLR7HSPA5
SCHEMBL19214803 0.78 FDPS (0.47) FDPSSLC6A3FBP1ALDH1A1PKM
SCHEMBL2039866 0.78 FDPS (0.51) FDPSSLC6A3FBP1ALDH1A1PKM
SCHEMBL20738620 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927096-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-02-23 US disclosed
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 US disclosed
CN-108191655-A The synthetic method of U.S.'s western corn rootworm sex pheromone and its application 西北农林科技大学 2018-06-22 CN disclosed
EP-3083597-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS GRUENENTHAL GMBH (DE) 2017-11-22 EP disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 US 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-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 FDPS 134/4885SLC6A3 4519/4885FBP1 375/4885
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 FDPS 784/4885SLC6A3 2629/4885FBP1 71/4885
US-10927096-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 FDPS 1734/4885SLC6A3 723/4885FBP1 4145/4885
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 FDPS 1734/4885SLC6A3 723/4885FBP1 4145/4885

“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.