SCHEMBL10113115

SCHEMBL10113115

CC1=C(C(=O)OCc2ccc(C)cc2)C(c2ccc(F)cc2)NC(=O)N1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.82
TSHR P16473 3/20 0.73
HTT P42858 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
MAPT P10636 1/20 0.69
GAA P10253 2/20 0.67
PKM P14618 1/20 0.66
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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 0.91 RXFP1 (0.78) RXFP1TSHRHTTMEN1KMT2A
SCHEMBL10113207 0.91 TSHR (0.78) RXFP1TSHRHTTMEN1KMT2A
SCHEMBL16457711 0.90 RXFP1 (1.00) RXFP1TSHRHTTMEN1KMT2A
SCHEMBL10113186 0.88 ALDH1A1 (0.72) TSHRHTTSMN1; SMN2GAAPKM
SCHEMBL10113228 0.87 ALDH1A1 (0.84) RXFP1TSHRHTTMEN1KMT2A
SCHEMBL19752622 0.86 MAPT (0.78) RXFP1TSHRHTTMEN1KMT2A
SCHEMBL5340383 0.86 MAPT (0.78) RXFP1TSHRHTTMEN1KMT2A
SCHEMBL19752649 0.86 MAPT (0.78) RXFP1TSHRHTTMEN1KMT2A
SCHEMBL3941722 0.84 RXFP1 (0.60) RXFP1TSHRHTTMEN1KMT2A
SCHEMBL1227524 0.83 HSD17B10 (0.77) MEN1KMT2AGAAALDH1A1

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-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
EP-1962855-B1 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES INC (US) 2013-08-21 EP 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 RXFP1 611/4885TSHR 4859/4885HTT 1892/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 RXFP1 33/4885TSHR 2721/4885HTT 2044/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 RXFP1 611/4885TSHR 4859/4885HTT 1892/4885

“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.