SCHEMBL10113631

SCHEMBL10113631

CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccccc1OC

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.72
GUSB P08236 10/20 0.67
ALDH1A1 P00352 3/20 0.59
CYP2C19 P33261 2/20 0.58
MEN1 O00255 1/20 0.58
CYP2C9 P11712 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX12 P18054 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL10113617 0.86 GUSB (0.71) DHFRGUSBALDH1A1MEN1KMT2A
SCHEMBL10113612 0.86 GUSB (0.71) DHFRGUSBALDH1A1CYP2C19NPC1
SCHEMBL10113668 0.84 GUSB (0.70) DHFRGUSBALDH1A1CYP2C19GAA
SCHEMBL10113594 0.84 GUSB (0.70) DHFRGUSBALDH1A1CYP2C19CYP2C9
SCHEMBL10113600 0.83 GUSB (0.64) DHFRGUSBALDH1A1CYP2C19NPC1
SCHEMBL7356693 0.83 DHFR (0.74) DHFRALDH1A1CYP2C19MEN1CYP2C9
SCHEMBL7356688 0.83 DHFR (0.74) DHFRALDH1A1CYP2C19MEN1CYP2C9
SCHEMBL10113632 0.81 GUSB (1.00) DHFRGUSBALDH1A1CYP2C19CA1
SCHEMBL10113607 0.80 GUSB (0.60) DHFRGUSBALDH1A1CYP2C19NPC1
SCHEMBL10113599 0.79 GUSB (1.00) DHFRGUSBALDH1A1CYP2C19CYP2C9

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 DHFR 874/4885GUSB 26/4885ALDH1A1 540/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 DHFR 2947/4885GUSB 580/4885ALDH1A1 313/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 DHFR 874/4885GUSB 26/4885ALDH1A1 540/4885

“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.