SCHEMBL10113175

SCHEMBL10113175

CC1=C(C(=O)OCC2CCCCC2)C(c2ccccc2F)NC(=O)N1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
PDE1C Q14123 2/20 0.62
GAA P10253 3/20 0.61
ADORA2B P29275 8/20 0.60
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3435823 0.88 MEN1 (0.65) SMN1; SMN2MEN1KMT2APDE1CGAA
SCHEMBL19752654 0.86 POLB (0.74) SMN1; SMN2MEN1KMT2AGAAADORA2B
SCHEMBL2951080 0.86 POLB (0.74) SMN1; SMN2MEN1KMT2AGAAADORA2B
SCHEMBL29506642 0.86 POLB (0.74) SMN1; SMN2MEN1KMT2AGAAADORA2B
SCHEMBL3391307 0.84 MEN1 (0.79) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL10113102 0.82 TP53 (0.72) MEN1KMT2AGAAADORA2BTSHR
SCHEMBL10113209 0.80 TP53 (0.69) MEN1KMT2AGAAADORA2BTSHR
SCHEMBL3397385 0.79 MEN1 (0.81) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL16458680 0.78 MEN1 (0.73) MEN1KMT2AGAATSHRTP53
SCHEMBL3397010 0.77 KIF11 (0.76) SMN1; SMN2MEN1KMT2APDE1CGAA

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 SMN1; SMN2 365/4885MEN1 4652/4885KMT2A 3581/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 SMN1; SMN2 1002/4885MEN1 4734/4885KMT2A 4097/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 SMN1; SMN2 365/4885MEN1 4652/4885KMT2A 3581/4885

“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.