SCHEMBL13420122

SCHEMBL13420122

COC(=O)C1=C(C)NC(=O)NC1c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.67
GUSB P08236 1/20 0.63
GAA P10253 3/20 0.61
KMT2A Q03164 2/20 0.59
PKM P14618 1/20 0.59
ADORA2B P29275 1/20 0.56
TSHR P16473 2/20 0.54
ALDH1A1 P00352 3/20 0.54
THRB P10828 2/20 0.54
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
KIF11 P52732 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL14413867 0.88 ALDH1A1 (0.70) GAAKMT2AADORA2BTSHRALDH1A1
SCHEMBL19752615 0.88 ALDH1A1 (0.70) GAAKMT2AADORA2BTSHRALDH1A1
SCHEMBL29506643 0.88 ALDH1A1 (0.70) GAAKMT2AADORA2BTSHRALDH1A1
SCHEMBL10113433 0.86 CTDSP1 (0.54) CTDSP1GUSBGAAKMT2ATSHR
SCHEMBL10279779 0.86 USP2 (0.58) CTDSP1GAAKMT2APKMTSHR
SCHEMBL19732961 0.86 USP2 (0.58) CTDSP1GAAKMT2APKMTSHR
SCHEMBL19752674 0.84 USP2 (0.71) GUSBKMT2APKMADORA2BTSHR
SCHEMBL5327469 0.84 USP2 (0.71) GUSBKMT2APKMADORA2BTSHR
SCHEMBL19752617 0.84 ALDH1A1 (0.53) CTDSP1GAAALDH1A1KIF11
SCHEMBL28595517 0.82 ALDH1A1 (0.78) GUSBGAAKMT2APKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
EP-1962855-B1 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES INC (US) 2013-08-21 EP disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 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 (2 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-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CTDSP1 4445/4885GUSB 580/4885GAA 2708/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CTDSP1 3440/4885GUSB 26/4885GAA 876/4885

“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.