SCHEMBL10113258

SCHEMBL10113258

CCCC1=C(C(=O)OCC)C(c2ccccc2Cl)NC(=O)N1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
POLB P06746 1/20 0.75
ADORA2B P29275 2/20 0.63
ADORA2A P29274 1/20 0.63
HTT P42858 2/20 0.60
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
TP53 P04637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10113282 0.88 MAPK1 (0.76) TSHRPOLBADORA2BADORA2AHTT
SCHEMBL19752686 0.86 POLB (1.00) TSHRPOLBADORA2BMAPK1HSD17B10
SCHEMBL19752684 0.86 POLB (1.00) TSHRPOLBADORA2BMAPK1HSD17B10
SCHEMBL10113058 0.82 POLB (0.75) TSHRPOLBHTTMAPK1CYP3A4
SCHEMBL3951160 0.78 MEN1 (0.64) TSHRPOLBHTTMAPK1HSD17B10
SCHEMBL10113271 0.78 HSD17B10 (0.74) TSHRPOLBADORA2BADORA2AMAPK1
SCHEMBL3396507 0.78 POLB (0.62) TSHRPOLBADORA2BMAPK1TP53
SCHEMBL3942597 0.78 TP53 (0.60) TSHRPOLBHTTMAPK1HSD17B10
SCHEMBL3005564 0.77 PKM (0.75) ADORA2BADORA2AMAPK1HSD17B10MEN1
SCHEMBL10113267 0.77 HSD17B10 (0.72) POLBADORA2BADORA2AMAPK1HSD17B10

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 TSHR 4859/4885POLB 1998/4885ADORA2B 493/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TSHR 2721/4885POLB 4470/4885ADORA2B 65/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885POLB 1998/4885ADORA2B 493/4885

“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.