SCHEMBL20528384

SCHEMBL20528384

CSC(=S)OC1CCN(C(=O)O)C(Cc2ccccc2)(c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.35
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL23456910 0.78 POLB (0.40) BCHESCN1ASCN2ASCN3ACHRM5
SCHEMBL21614352 0.73 OPRL1 (0.38) BCHECHRM5CHRM1CHRM3MEN1
SCHEMBL29213787 0.71 CHRM4 (0.38) BCHECHRM4MEN1KMT2AALDH1A1
SCHEMBL29213800 0.71 BCHE (0.45) BCHESCN1ASCN2ASCN3A
SCHEMBL29213856 0.70 DRD2 (0.46) BCHE
SCHEMBL16635210 0.69 SMN1; SMN2 (0.60) MEN1KMT2A
SCHEMBL31751694 0.68 SMN1; SMN2 (0.57) MEN1KMT2A
SCHEMBL20113192 0.68 BCHE (0.45) BCHEMEN1KMT2AALDH1A1
SCHEMBL29213786 0.67 L3MBTL3 (0.39) CHRM4MEN1KMT2AALDH1A1
SCHEMBL29213831 0.66 CHRM4 (0.41) CHRM4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 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 (3 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-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB BCHE 2913/4885SCN1A 991/4885SCN2A 1827/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB BCHE 2913/4885SCN1A 991/4885SCN2A 1827/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB BCHE 2913/4885SCN1A 991/4885SCN2A 1827/4885

“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.