SCHEMBL10113587

SCHEMBL10113587

COCCOC(=O)C1=C(C)NC(=S)NC1c1ccc(C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
ALDH1A1 P00352 7/20 0.61
DHFR P00374 2/20 0.58
CA12 O43570 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
ADORA2B P29275 4/20 0.51
POLB P06746 3/20 0.51
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALOX12 P18054 1/20 0.47
GUSB P08236 1/20 0.47

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
SCHEMBL7697757 0.86 CA1 (0.74) CA1CA2ALDH1A1DHFRCA12
SCHEMBL10113292 0.86 CA1 (0.64) CA1CA2ALDH1A1DHFRCA12
SCHEMBL10113293 0.86 CA1 (0.64) CA1CA2ALDH1A1DHFRCA12
SCHEMBL7688891 0.78 ALDH1A1 (0.61) CA1CA2ALDH1A1DHFRADORA2B
SCHEMBL7688881 0.78 DHFR (0.64) CA1CA2ALDH1A1DHFRCA12
SCHEMBL7693397 0.77 MAPT (0.64) CA1CA2ALDH1A1DHFRCA12
SCHEMBL28555966 0.76 DHFR (0.77) CA1CA2ALDH1A1DHFRCA12
SCHEMBL28558189 0.76 DHFR (0.81) CA1CA2ALDH1A1DHFRCA12
SCHEMBL3168404 0.75 CA1 (0.79) CA1CA2ALDH1A1DHFRCA12
SCHEMBL28484545 0.75 HSD17B10 (0.70) CA1CA2ALDH1A1CA12CA7

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 52/4885ALDH1A1 540/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CA1 1004/4885CA2 336/4885ALDH1A1 313/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CA1 172/4885CA2 52/4885ALDH1A1 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.