SCHEMBL10113701

SCHEMBL10113701

CCOc1ccc(C2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.64
ALDH1A1 P00352 5/20 0.61
DHFR P00374 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA12 O43570 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
GAA P10253 2/20 0.56
GUSB P08236 1/20 0.55
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL13419901 0.88 ALDH1A1 (0.63) ADORA2BALDH1A1DHFRMEN1KMT2A
SCHEMBL31541593 0.87 ADORA2B (0.70) ADORA2BALDH1A1DHFRKMT2ACA1
SCHEMBL31541582 0.85 ADORA2B (0.69) ADORA2BALDH1A1DHFRCA1CA2
SCHEMBL31541559 0.84 GAA (0.76) ADORA2BALDH1A1DHFRCA1CA2
SCHEMBL31541565 0.84 ADORA2B (0.67) ADORA2BALDH1A1DHFRKMT2ACA1
SCHEMBL10113372 0.84 ADORA2B (0.67) ADORA2BALDH1A1DHFRMEN1KMT2A
SCHEMBL10113348 0.84 DHFR (0.70) ADORA2BALDH1A1DHFRKMT2ACA1
SCHEMBL31541514 0.82 ADORA2B (0.65) ADORA2BALDH1A1DHFRCA1CA2
SCHEMBL26671672 0.81 ALDH1A1 (0.69) ADORA2BALDH1A1DHFRKMT2ACA1
SCHEMBL19590956 0.80 KMT2A (0.49) ADORA2BALDH1A1MEN1KMT2AGAA

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 ADORA2B 493/4885ALDH1A1 540/4885DHFR 874/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ADORA2B 65/4885ALDH1A1 313/4885DHFR 2947/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ADORA2B 493/4885ALDH1A1 540/4885DHFR 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.