SCHEMBL10113592

SCHEMBL10113592

COC(=O)C1=C(C)N(C)C(=S)NC1c1ccccc1OC

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.73
KMT2A Q03164 3/20 0.70
HTT P42858 2/20 0.70
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALOX12 P18054 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DHFR P00374 1/20 0.51
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL10113621 0.81 LMNA (0.80) MAPK1KMT2AHTTLMNASMN1; SMN2
SCHEMBL10113312 0.78 LMNA (0.77) MAPK1KMT2AHTTLMNASMN1; SMN2
SCHEMBL10113323 0.76 KMT2A (0.74) MAPK1KMT2AHTTLMNASMN1; SMN2
SCHEMBL10113335 0.75 LMNA (1.00) MAPK1KMT2AHTTLMNASMN1; SMN2
SCHEMBL10113684 0.74 KMT2A (0.71) KMT2AHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL10112919 0.73 POLB (0.79) KMT2ALMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL14439697 0.73 TSHR (0.67) KMT2AHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL5907168 0.73 TSHR (0.52) MAPK1KMT2AHTTALDH1A1L3MBTL1
SCHEMBL7690494 0.72 ALDH1A1 (0.80) KMT2AHTTLMNASMN1; SMN2ALOX12
SCHEMBL10113090 0.70 ALOX12 (1.00) MAPK1KMT2AHTTLMNASMN1; SMN2

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 15 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-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-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 (4 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 MAPK1 4472/4885KMT2A 3764/4885HTT 1239/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MAPK1 4386/4885KMT2A 3581/4885HTT 1892/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 MAPK1 1736/4885KMT2A 4097/4885HTT 2044/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MAPK1 4386/4885KMT2A 3581/4885HTT 1892/4885

“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.