SCHEMBL10112909

SCHEMBL10112909

CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.82
RAB9A P51151 1/20 0.82
GAA P10253 4/20 0.81
HSD17B10 Q99714 2/20 0.79
ALOX15 P16050 1/20 0.79
CASP1 P29466 1/20 0.79
CASP7 P55210 1/20 0.79
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
PDE1C Q14123 1/20 0.77
MAPK1 P28482 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
HTT P42858 1/20 0.73
LMNA P02545 2/20 0.68
ALDH1A1 P00352 2/20 0.67
KIF11 P52732 1/20 0.66
CREBBP Q92793 1/20 0.65

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
SCHEMBL15976549 0.91 GAA (0.77) TSHRRAB9AGAAHSD17B10ALOX15
SCHEMBL26671643 0.90 TSHR (0.75) TSHRRAB9AGAAHSD17B10ALOX15
SCHEMBL4648036 0.90 GAA (0.77) TSHRRAB9AGAAHSD17B10ALOX15
SCHEMBL4669190 0.87 ALDH1A1 (0.67) TSHRRAB9AGAAHSD17B10ALOX15
SCHEMBL26671709 0.87 TSHR (0.70) TSHRRAB9AGAAHSD17B10ALOX15
SCHEMBL29794092 0.87 TSHR (0.70) TSHRRAB9AGAAHSD17B10ALOX15
SCHEMBL3392657 0.84 GAA (0.76) GAAHSD17B10MEN1KMT2ALMNA
SCHEMBL19752718 0.84 GAA (0.76) GAAHSD17B10MEN1KMT2ALMNA
SCHEMBL26820227 0.84 TSHR (0.64) TSHRRAB9AGAAHSD17B10ALOX15
SCHEMBL26671646 0.84 TSHR (0.64) TSHRRAB9AGAAHSD17B10ALOX15

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632071-B Method for preparing 3, 4-dihydropyrimidine-2-one derivative by promoting high-efficiency catalysis of titanocene dichloride with ethanol 陕西师范大学 2021-07-09 CN 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 (2 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 4859/4885RAB9A 3906/4885GAA 876/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TSHR 2721/4885RAB9A 2520/4885GAA 2708/4885

“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.