SCHEMBL10112965

SCHEMBL10112965

CC1=C(C(=O)OC(C)C)C(c2ccccc2F)NC(=S)N1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.63
ALDH1A1 P00352 3/20 0.61
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
DHFR P00374 2/20 0.53
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
EIF4H Q15056 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX15 P16050 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL10113063 0.86 ADORA2B (0.63) ADORA2BALDH1A1CA1CA2DHFR
SCHEMBL14164087 0.84 CA1 (0.78) ADORA2BALDH1A1CA1CA2DHFR
SCHEMBL10113664 0.83 CA1 (0.78) ADORA2BALDH1A1CA1CA2DHFR
SCHEMBL31541559 0.81 GAA (0.76) ADORA2BALDH1A1CA1CA2DHFR
SCHEMBL10113568 0.79 ALDH1A1 (0.57) ALDH1A1CA1CA2DHFRGAA
SCHEMBL31541593 0.78 ADORA2B (0.70) ADORA2BALDH1A1CA1CA2DHFR
SCHEMBL31541582 0.77 ADORA2B (0.69) ADORA2BALDH1A1CA1CA2DHFR
SCHEMBL10113668 0.76 GUSB (0.70) ALDH1A1CA1CA2DHFRGAA
SCHEMBL10113372 0.76 ADORA2B (0.67) ADORA2BALDH1A1CA1CA2DHFR
SCHEMBL10695488 0.76 CACNA1C (0.61) ALDH1A1MEN1KMT2AALOX15ACHE

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 540/4885CA1 172/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ADORA2B 65/4885ALDH1A1 313/4885CA1 1004/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ADORA2B 493/4885ALDH1A1 540/4885CA1 172/4885

“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.