SCHEMBL13419901

SCHEMBL13419901

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KMT2A Q03164 2/20 0.63
POLB P06746 2/20 0.63
DHFR P00374 1/20 0.62
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
GAA P10253 2/20 0.60
GUSB P08236 1/20 0.60
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
ADORA2B P29275 3/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 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
SCHEMBL10113701 0.88 ADORA2B (0.64) ALDH1A1KMT2APOLBDHFRCA1
SCHEMBL10112959 0.86 KMT2A (0.72) ALDH1A1KMT2ACA1CA2GAA
SCHEMBL7692901 0.85 ALDH1A1 (0.66) ALDH1A1KMT2APOLBDHFRCA1
SCHEMBL3168404 0.84 CA1 (0.79) ALDH1A1KMT2APOLBDHFRCA1
SCHEMBL10113343 0.83 ALDH1A1 (0.63) ALDH1A1KMT2APOLBDHFRCA1
SCHEMBL31541537 0.82 GUSB (0.64) ALDH1A1KMT2APOLBDHFRCA1
SCHEMBL7690576 0.82 DHFR (0.76) ALDH1A1KMT2APOLBDHFRCA1
SCHEMBL28558189 0.80 DHFR (0.81) ALDH1A1KMT2APOLBDHFRCA1
SCHEMBL27097245 0.79 ALDH1A1 (0.58) ALDH1A1KMT2APOLBDHFRCA1
SCHEMBL2129265 0.79 ALDH1A1 (0.63) ALDH1A1GAAHTTSMN1; SMN2MAPT

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 10 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-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 ALDH1A1 313/4885KMT2A 4097/4885POLB 4470/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALDH1A1 540/4885KMT2A 3581/4885POLB 1998/4885

“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.