SCHEMBL5380810

SCHEMBL5380810

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

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.79
CA1 P00915 6/20 0.72
CA2 P00918 6/20 0.72
CA12 O43570 1/20 0.72
CA7 P43166 1/20 0.72
CA9 Q16790 1/20 0.72
ALDH1A1 P00352 6/20 0.68
ADORA2B P29275 4/20 0.68
POLB P06746 2/20 0.68
GUSB P08236 1/20 0.67
KDM4E B2RXH2 1/20 0.63
TSHR P16473 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KMT2A Q03164 2/20 0.62

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
SCHEMBL28558189 0.91 DHFR (0.81) DHFRCA1CA2CA12CA7
SCHEMBL10113385 0.90 DHFR (0.79) DHFRCA1CA2CA12CA7
SCHEMBL28555968 0.88 DHFR (0.77) DHFRCA1CA2CA12CA7
SCHEMBL28555966 0.88 DHFR (0.77) DHFRCA1CA2CA12CA7
SCHEMBL28562281 0.88 DHFR (0.77) DHFRCA1CA2CA12CA7
SCHEMBL7690389 0.88 DHFR (1.00) DHFRCA1CA2CA12CA7
SCHEMBL3168404 0.87 CA1 (0.79) DHFRCA1CA2CA12CA7
SCHEMBL10112916 0.86 HSD17B10 (0.76) DHFRCA1CA2CA12CA7
SCHEMBL10112951 0.85 HSD17B10 (0.76) CA1CA2CA12CA7CA9
Monastrol SCHEMBL3168349 0.85 KIF11 (0.77) DHFRCA1CA2CA12CA7

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 22 patents — showing the first 20. 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-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-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
US-7160449-B2 Proline chiral columns with broad chiral selectivity VANDERBILT UNIVERSITY (US) 2007-01-09 US disclosed
US-7160449-B2 Proline chiral columns with broad chiral selectivity VANDERBILT UNIVERSITY (US) 2007-01-09 US disclosed
US-7160449-B2 Proline chiral columns with broad chiral selectivity VANDERBILT UNIVERSITY (US) 2007-01-09 US disclosed
US-7141160-B2 Chiral columns with broad chiral selectivity V{dot over (a)}nderbilt University (US) 2006-11-28 US disclosed
US-20050092686-A1 Proline chiral columns with broad chiral selectivity LI, TINGYU 2005-05-05 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 3335/4885CA1 1342/4885CA2 101/4885
US-20080145453-A1 Novel Dihydropyrimidine Derivatives And Their Use As Anti-Cancer Agents DPYD, G6PD, DHFR DHFR 3/4885CA1 4705/4885CA2 3713/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 DHFR 874/4885CA1 172/4885CA2 52/4885
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.