SCHEMBL10113063

SCHEMBL10113063

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.63
ALDH1A1 P00352 4/20 0.61
ALOX15 P16050 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
POLB P06746 2/20 0.55
TSHR P16473 1/20 0.55
DHFR P00374 2/20 0.53
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
EIF4H Q15056 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACHE P22303 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
SCHEMBL10112965 0.86 ADORA2B (0.63) ADORA2BALDH1A1ALOX15L3MBTL1CA1
SCHEMBL31706859 0.84 CA1 (0.78) ADORA2BALDH1A1L3MBTL1SMN1; SMN2CA1
SCHEMBL14164088 0.84 CA1 (0.78) ADORA2BALDH1A1L3MBTL1SMN1; SMN2CA1
SCHEMBL10113372 0.81 ADORA2B (0.67) ADORA2BALDH1A1L3MBTL1SMN1; SMN2CA1
SCHEMBL31541552 0.79 ALDH1A1 (0.62) ADORA2BALDH1A1L3MBTL1SMN1; SMN2CA1
SCHEMBL31541593 0.78 ADORA2B (0.70) ADORA2BALDH1A1SMN1; SMN2CA1CA2
SCHEMBL10113574 0.77 TSHR (0.61) ADORA2BALDH1A1L3MBTL1SMN1; SMN2CA1
SCHEMBL10630122 0.77 ALOX15 (0.62) ALDH1A1ALOX15MEN1KMT2ACYP3A4
SCHEMBL31541582 0.77 ADORA2B (0.69) ADORA2BALDH1A1CA1CA2DHFR
SCHEMBL10113594 0.76 GUSB (0.70) ALDH1A1L3MBTL1SMN1; SMN2CA1CA2

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 ADORA2B 493/4885ALDH1A1 540/4885ALOX15 91/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ADORA2B 65/4885ALDH1A1 313/4885ALOX15 567/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ADORA2B 493/4885ALDH1A1 540/4885ALOX15 91/4885

“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.