SCHEMBL10113282

SCHEMBL10113282

CCCC1=C(C(=O)OCC)C(c2ccc(Cl)cc2Cl)NC(=O)N1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.76
TSHR P16473 2/20 0.60
HTT P42858 2/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 4/20 0.53
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
CREBBP Q92793 1/20 0.49

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
SCHEMBL10113258 0.88 TSHR (0.75) MAPK1TSHRHTTADORA2AADORA2B
SCHEMBL31705784 0.86 MAPK1 (1.00) MAPK1TSHRADORA2BLMNAPOLB
SCHEMBL24624785 0.78 MAPK1 (0.59) MAPK1TSHRHTTADORA2BPOLB
SCHEMBL31706021 0.77 MAPK1 (0.79) MAPK1TSHRHTTADORA2BLMNA
SCHEMBL10113271 0.77 HSD17B10 (0.74) MAPK1TSHRADORA2AADORA2BLMNA
SCHEMBL10113267 0.76 HSD17B10 (0.72) MAPK1ADORA2AADORA2BPOLBHSD17B10
SCHEMBL13587735 0.76 NR3C2 (0.60) MAPK1
SCHEMBL13856711 0.76 TSHR (1.00) MAPK1TSHRHTTADORA2AADORA2B
SCHEMBL2999682 0.74 ADORA2B (0.69) MAPK1TSHRHTTADORA2AADORA2B
SCHEMBL2994443 0.74 ADORA2B (0.75) MAPK1ADORA2AADORA2BHSD17B10CYP1A2

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 4472/4885TSHR 3294/4885HTT 1239/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MAPK1 4386/4885TSHR 4859/4885HTT 1892/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 MAPK1 1736/4885TSHR 2721/4885HTT 2044/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MAPK1 4386/4885TSHR 4859/4885HTT 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.