SCHEMBL6340753

SCHEMBL6340753

CC1=C(C(=O)OCc2ccccc2)C(c2cccc(Cl)c2)NC(=O)N1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.77
GAA P10253 2/20 0.67
TSHR P16473 2/20 0.67
BLM P54132 1/20 0.67
ADORA2B P29275 1/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
MAPK10 P53779 1/20 0.65
KIF11 P52732 1/20 0.63

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
SCHEMBL16323394 0.90 TSHR (0.70) PKMGAATSHRMAPK10
SCHEMBL3397866 0.89 PKM (0.80) PKMGAATSHRBLMADORA2B
SCHEMBL16458392 0.89 ALDH1A1 (0.71) PKMGAATSHRADORA2BKDM4E
SCHEMBL16323913 0.89 ALDH1A1 (0.81) PKMGAATSHRADORA2BKDM4E
SCHEMBL5351765 0.88 KIF11 (0.77) PKMGAATSHRADORA2BALDH1A1
SCHEMBL6336647 0.87 PKM (0.59) PKMGAATSHRBLM
SCHEMBL5339172 0.85 KIF11 (0.65) PKMGAAADORA2BKIF11
SCHEMBL5345378 0.84 MAPT (0.66) PKMGAAADORA2BKIF11
SCHEMBL10113186 0.83 ALDH1A1 (0.72) PKMGAATSHRADORA2BKDM4E
SCHEMBL17413836 0.82 ALDH1A1 (0.78) PKMGAATSHRBLMADORA2B

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 17 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
US-6855716-B2 Dihydropyrimidine compounds and compositions containing the same AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
US-20020143023-A1 Dihydropyrimidine compounds and compositions containing the same AJINOMOTO CO. INC (JP) 2002-10-03 US disclosed
EP-1193259-A1 DIHYDROPYRIMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-04-03 EP 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-20020143023-A1 Dihydropyrimidine compounds and compositions containing the same CACNA1B, CACNA1D, CACNA1G PKM 3736/4885GAA 1744/4885TSHR 4714/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 PKM 1306/4885GAA 876/4885TSHR 4859/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 PKM 2372/4885GAA 2708/4885TSHR 2721/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 PKM 1306/4885GAA 876/4885TSHR 4859/4885

“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.