SCHEMBL10113161

SCHEMBL10113161

CCCCCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.78
CA1 P00915 5/20 0.68
CA2 P00918 5/20 0.68
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 2/20 0.59
GUSB P08236 1/20 0.59
CA12 O43570 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ADORA2B P29275 3/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.54

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
SCHEMBL13115983 0.96 DHFR (0.80) DHFRCA1CA2HSD17B10ALDH1A1
SCHEMBL7690389 0.88 DHFR (1.00) DHFRCA1CA2ALDH1A1GUSB
SCHEMBL14164070 0.82 DHFR (0.79) DHFRCA1CA2ALDH1A1GUSB
SCHEMBL16366980 0.81 CA1 (1.00) DHFRCA1CA2ALDH1A1GUSB
SCHEMBL7697851 0.81 DHFR (0.59) DHFRCA1CA2HSD17B10ALDH1A1
SCHEMBL7690794 0.80 DHFR (0.71) DHFRCA1CA2ALDH1A1GUSB
SCHEMBL7690576 0.80 DHFR (0.76) DHFRCA1CA2ALDH1A1GUSB
SCHEMBL10830248 0.79 CACNA1F (0.66) HSD17B10ALDH1A1LMNA
SCHEMBL7047706 0.79 CACNA1F (0.66) HSD17B10ALDH1A1LMNA
SCHEMBL5911375 0.78 DHFR (0.65) DHFRCA1CA2ALDH1A1GUSB

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 12 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-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 DHFR 2947/4885CA1 1004/4885CA2 336/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 DHFR 874/4885CA1 172/4885CA2 52/4885

“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.