SCHEMBL10113372

SCHEMBL10113372

CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)NC(=S)N1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.67
ALDH1A1 P00352 3/20 0.64
GAA P10253 1/20 0.61
GUSB P08236 1/20 0.60
DHFR P00374 1/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
PABPC1 P11940 1/20 0.50
KMT2A Q03164 1/20 0.50
EIF4H Q15056 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL31541593 0.90 ADORA2B (0.70) ADORA2BALDH1A1GAADHFRKDM4E
SCHEMBL31541582 0.89 ADORA2B (0.69) ADORA2BALDH1A1GAAGUSBDHFR
SCHEMBL31541559 0.88 GAA (0.76) ADORA2BALDH1A1GAADHFRKDM4E
SCHEMBL31541565 0.88 ADORA2B (0.67) ADORA2BALDH1A1GAAGUSBDHFR
SCHEMBL10113131 0.87 GAA (0.79) ADORA2BALDH1A1GAASMN1; SMN2MEN1
SCHEMBL31541552 0.86 ALDH1A1 (0.62) ADORA2BALDH1A1GAAGUSBDHFR
SCHEMBL31541537 0.86 GUSB (0.64) ADORA2BALDH1A1GUSBDHFRKDM4E
SCHEMBL31541514 0.85 ADORA2B (0.65) ADORA2BALDH1A1GAADHFRKDM4E
SCHEMBL10113701 0.84 ADORA2B (0.64) ADORA2BALDH1A1GAAGUSBDHFR
SCHEMBL7693397 0.84 MAPT (0.64) ADORA2BALDH1A1GUSBDHFRKDM4E

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-20250129101-A1 Compound, Pharmaceutical Composition Comprising the Same and Method for Treating Cancer Using the Same NATIONAL TSING HUA UNIVERSITY (TW) 2025-04-24 US disclosed
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 (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-20250129101-A1 Compound, Pharmaceutical Composition Comprising the Same and Method for Treating Cancer Using the Same RB1, TP53, ASH2L ADORA2B 448/4885ALDH1A1 360/4885GAA 2405/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ADORA2B 493/4885ALDH1A1 540/4885GAA 876/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ADORA2B 65/4885ALDH1A1 313/4885GAA 2708/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ADORA2B 493/4885ALDH1A1 540/4885GAA 876/4885

“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.