SCHEMBL10113073

SCHEMBL10113073

C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1OCC

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.74
CA2 P00918 5/20 0.74
DHFR P00374 2/20 0.70
ALDH1A1 P00352 6/20 0.60
TDP1 Q9NUW8 1/20 0.60
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 3/20 0.57
ALOX12 P18054 1/20 0.55
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADORA2B P29275 2/20 0.52
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL10113664 0.84 CA1 (0.78) CA1CA2DHFRALDH1A1TDP1
SCHEMBL26598049 0.83 DHFR (0.66) CA1CA2DHFRALDH1A1KMT2A
SCHEMBL7696383 0.82 DHFR (0.74) CA1CA2DHFRALDH1A1KMT2A
SCHEMBL16366980 0.81 CA1 (1.00) CA1CA2DHFRALDH1A1TDP1
SCHEMBL7696183 0.80 MAPT (0.71) CA1CA2DHFRALDH1A1KMT2A
SCHEMBL7695756 0.79 DHFR (0.63) CA1CA2DHFRALDH1A1KMT2A
SCHEMBL10113419 0.79 CA1 (1.00) CA1CA2DHFRALDH1A1KMT2A
SCHEMBL7695807 0.78 GAA (0.63) CA1CA2DHFRALDH1A1KMT2A
SCHEMBL10113728 0.78 DHFR (0.74) CA1CA2DHFRALDH1A1KMT2A
SCHEMBL7701429 0.78 TP53 (0.80) CA1CA2DHFRALDH1A1KMT2A

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 CA1 172/4885CA2 52/4885DHFR 874/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CA1 1004/4885CA2 336/4885DHFR 2947/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CA1 172/4885CA2 52/4885DHFR 874/4885

“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.