SCHEMBL10112947

SCHEMBL10112947

COC(=O)C1=C(C)NC(=O)NC1c1ccc(O)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.69
MAPK1 P28482 2/20 0.69
ALDH1A1 P00352 2/20 0.69
ALOX15 P16050 1/20 0.69
MAPK10 P53779 1/20 0.69
PKM P14618 1/20 0.66
TSHR P16473 1/20 0.63
KMT2A Q03164 1/20 0.62
GAA P10253 3/20 0.61
GUSB P08236 1/20 0.59
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
ADORA2B P29275 1/20 0.59
HPGD P15428 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL10279640 0.90 PKM (0.67) HSD17B10ALDH1A1PKMTSHRKMT2A
SCHEMBL28595517 0.87 ALDH1A1 (0.78) ALDH1A1MAPK10PKMTSHRKMT2A
SCHEMBL5327469 0.87 USP2 (0.71) HSD17B10ALDH1A1PKMTSHRKMT2A
SCHEMBL19752674 0.87 USP2 (0.71) HSD17B10ALDH1A1PKMTSHRKMT2A
SCHEMBL10112951 0.86 HSD17B10 (0.76) HSD17B10MAPK1ALDH1A1ALOX15MAPK10
SCHEMBL10113442 0.85 GUSB (0.62) HSD17B10MAPK1ALDH1A1ALOX15MAPK10
SCHEMBL28346675 0.83 PKM (0.59) ALDH1A1PKMTSHRKMT2AGAA
SCHEMBL10112959 0.83 KMT2A (0.72) HSD17B10ALDH1A1PKMTSHRKMT2A
SCHEMBL10112925 0.82 GAA (0.80) MAPK10PKMTSHRKMT2AGAA
SCHEMBL19752623 0.81 GUSB (0.64) HSD17B10ALDH1A1PKMTSHRKMT2A

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 14 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
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-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 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 (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-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 HSD17B10 808/4885MAPK1 4386/4885ALDH1A1 540/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 HSD17B10 2793/4885MAPK1 1736/4885ALDH1A1 313/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 HSD17B10 808/4885MAPK1 4386/4885ALDH1A1 540/4885

“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.