SCHEMBL10113448

SCHEMBL10113448

CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2Cl)NC(=O)N1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
TSHR P16473 1/20 0.72
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
ATM Q13315 1/20 0.71
ALDH1A1 P00352 3/20 0.61
ADORA2B P29275 1/20 0.58
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.48
CREBBP Q92793 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
SCHEMBL19752684 0.84 POLB (1.00) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL19752686 0.84 POLB (1.00) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL19732943 0.82 POLB (0.70) POLBTSHRMEN1KMT2AATM
SCHEMBL19732942 0.82 POLB (0.70) POLBTSHRMEN1KMT2AATM
SCHEMBL10143937 0.81 TSHR (0.77) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL3029881 0.81 NR3C2 (0.56) POLBTSHRMEN1KMT2AATM
SCHEMBL10113142 0.79 TSHR (0.73) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL10113452 0.79 HTT (0.66) MEN1KMT2AATMALDH1A1ADORA2B
SCHEMBL4649176 0.78 ADORA2B (0.61) TSHRMEN1KMT2AATMALDH1A1
SCHEMBL16211062 0.77 TSHR (0.76) POLBTSHRMEN1KMT2AALDH1A1

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 POLB 1998/4885TSHR 4859/4885MEN1 4652/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 POLB 4470/4885TSHR 2721/4885MEN1 4734/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 POLB 1998/4885TSHR 4859/4885MEN1 4652/4885

“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.