SCHEMBL10113207

SCHEMBL10113207

CC1=C(C(=O)OCc2ccccc2)C(c2ccc(F)cc2)NC(=O)N1

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.78
RXFP1 Q9HBX9 1/20 0.78
PKM P14618 1/20 0.78
ALDH1A1 P00352 2/20 0.77
KDM4E B2RXH2 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
ADORA2B P29275 1/20 0.70
GAA P10253 2/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.70
HTT P42858 1/20 0.70
KMT2A Q03164 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
USP2 O75604 1/20 0.70
MAPT P10636 1/20 0.69
BLM P54132 1/20 0.68
TP53 P04637 1/20 0.66

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
SCHEMBL16457648 0.95 RXFP1 (0.78) TSHRRXFP1PKMALDH1A1KDM4E
SCHEMBL16323913 0.92 ALDH1A1 (0.81) TSHRPKMALDH1A1KDM4ETDP1
SCHEMBL10113115 0.91 RXFP1 (0.82) TSHRRXFP1PKMALDH1A1KDM4E
SCHEMBL17413836 0.90 ALDH1A1 (0.78) TSHRRXFP1PKMALDH1A1KDM4E
SCHEMBL10113191 0.89 MAPT (0.66) TSHRRXFP1PKMALDH1A1KDM4E
SCHEMBL17413871 0.88 TSHR (1.00) TSHRRXFP1PKMALDH1A1KDM4E
SCHEMBL16457711 0.88 RXFP1 (1.00) TSHRRXFP1GAAMEN1LMNA
SCHEMBL15176799 0.87 ALDH1A1 (1.00) TSHRPKMALDH1A1KDM4ETDP1
SCHEMBL10113673 0.87 ALDH1A1 (0.74) TSHRPKMALDH1A1KDM4ETDP1
SCHEMBL10113526 0.87 ALDH1A1 (0.74) TSHRPKMALDH1A1KDM4ETDP1

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 TSHR 4859/4885RXFP1 611/4885PKM 1306/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TSHR 2721/4885RXFP1 33/4885PKM 2372/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885RXFP1 611/4885PKM 1306/4885

“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.