SCHEMBL10112977

SCHEMBL10112977

CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.72
ALDH1A1 P00352 7/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
ALOX12 P18054 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ADORA2B P29275 4/20 0.60
POLB P06746 2/20 0.60
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
KMT2A Q03164 2/20 0.57
KIF11 P52732 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL10113002 0.91 DHFR (0.72) DHFRALDH1A1HTTLMNAALOX12
SCHEMBL10112742 0.90 ALDH1A1 (0.58) DHFRALDH1A1HTTLMNAALOX12
SCHEMBL10113658 0.89 CA1 (0.77) DHFRALDH1A1HTTLMNAALOX12
SCHEMBL10113026 0.88 DHFR (0.62) DHFRALDH1A1HTTLMNAALOX12
SCHEMBL19752619 0.87 KIF11 (0.75) ALDH1A1SMN1; SMN2KIF11L3MBTL1
SCHEMBL3395610 0.87 KIF11 (0.75) ALDH1A1SMN1; SMN2KIF11L3MBTL1
SCHEMBL13367215 0.87 DHFR (0.67) DHFRALDH1A1HTTLMNAALOX12
SCHEMBL12057875 0.86 DHFR (0.65) DHFRALDH1A1HTTLMNAALOX12
SCHEMBL10113582 0.86 CA1 (0.67) DHFRALDH1A1HTTLMNAALOX12
SCHEMBL10112992 0.86 ALDH1A1 (0.71) DHFRALDH1A1HTTLMNAALOX12

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 18 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
EP-1962855-B1 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES INC (US) 2013-08-21 EP 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 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-20080145453-A1 Novel Dihydropyrimidine Derivatives And Their Use As Anti-Cancer Agents COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-06-19 US disclosed
US-20080145453-A1 Novel Dihydropyrimidine Derivatives And Their Use As Anti-Cancer Agents COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-06-19 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 (5 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 DHFR 3335/4885ALDH1A1 1173/4885HTT 1239/4885
US-20080145453-A1 Novel Dihydropyrimidine Derivatives And Their Use As Anti-Cancer Agents DPYD, G6PD, DHFR DHFR 3/4885ALDH1A1 85/4885HTT 4579/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 DHFR 874/4885ALDH1A1 540/4885HTT 1892/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 DHFR 2947/4885ALDH1A1 313/4885HTT 2044/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 DHFR 874/4885ALDH1A1 540/4885HTT 1892/4885

“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.