SCHEMBL10113271

SCHEMBL10113271

CCCC1=C(C(=O)OCC)C(c2ccc(CC)cc2)NC(=O)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.74
MAPK1 P28482 1/20 0.74
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
TP53 P04637 3/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
TSHR P16473 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
THRB P10828 1/20 0.58
MAPT P10636 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL10113267 0.89 HSD17B10 (0.72) HSD17B10MAPK1ADORA2AADORA2BTP53
SCHEMBL2994443 0.82 ADORA2B (0.75) HSD17B10MAPK1ADORA2AADORA2B
SCHEMBL19752712 0.81 MEN1 (0.67) ADORA2BTP53ALDH1A1POLBTHRB
SCHEMBL19752713 0.81 MEN1 (0.67) ADORA2BTP53ALDH1A1POLBTHRB
SCHEMBL19590946 0.81 HSD17B10 (0.50) HSD17B10MAPK1ADORA2AADORA2BTP53
SCHEMBL2999682 0.80 ADORA2B (0.69) HSD17B10MAPK1ADORA2AADORA2BTP53
SCHEMBL4083873 0.79 ADORA2B (0.62) HSD17B10MAPK1ADORA2AADORA2BTP53
SCHEMBL10113275 0.79 ALDH1A1 (0.80) MAPK1ALDH1A1CA12CA1CA2
SCHEMBL10113258 0.78 TSHR (0.75) HSD17B10MAPK1ADORA2AADORA2BTP53
SCHEMBL3005564 0.78 PKM (0.75) HSD17B10MAPK1ADORA2AADORA2BALDH1A1

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 4386/4885ADORA2A 1107/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 HSD17B10 2793/4885MAPK1 1736/4885ADORA2A 100/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 HSD17B10 808/4885MAPK1 4386/4885ADORA2A 1107/4885

“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.