SCHEMBL10113033

SCHEMBL10113033

COC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA7 P43166 4/20 0.58
CA9 Q16790 4/20 0.58
ALDH1A1 P00352 11/20 0.54
GAA P10253 3/20 0.54
HTT P42858 3/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
EPHX2 P34913 1/20 0.52
ALOX12 P18054 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.46
DHFR P00374 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
SCHEMBL7688994 0.98 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10113038 0.91 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7696410 0.91 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL10113819 0.83 ALDH1A1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL7696953 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7691815 0.79 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL7689580 0.78 PTPN1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5336131 0.78 PTPN1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL7696347 0.78 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL10112945 0.78 CA1 (0.78) CA12CA1CA2CA7CA9

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 CA12 115/4885CA1 172/4885CA2 52/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CA12 3289/4885CA1 1004/4885CA2 336/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CA12 115/4885CA1 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.