SCHEMBL10113102

SCHEMBL10113102

CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2F)NC(=O)N1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.72
TSHR P16473 3/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
PKM P14618 1/20 0.69
ADORA2B P29275 3/20 0.67
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
GAA P10253 2/20 0.63
HTT P42858 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL10113209 0.93 TP53 (0.69) TP53TSHRKMT2AMEN1PKM
SCHEMBL16458680 0.91 MEN1 (0.73) TP53TSHRKMT2AMEN1GAA
SCHEMBL2951080 0.88 POLB (0.74) TSHRKMT2AMEN1PKMADORA2B
SCHEMBL19752654 0.88 POLB (0.74) TSHRKMT2AMEN1PKMADORA2B
SCHEMBL29506642 0.88 POLB (0.74) TSHRKMT2AMEN1PKMADORA2B
SCHEMBL16323913 0.84 ALDH1A1 (0.81) TSHRPKMADORA2BKDM4EALDH1A1
SCHEMBL10113207 0.84 TSHR (0.78) TP53TSHRKMT2AMEN1PKM
SCHEMBL10113539 0.84 ALOX15 (0.73) TP53TSHRKMT2AMEN1PKM
SCHEMBL10113175 0.82 SMN1; SMN2 (0.71) TP53TSHRKMT2AMEN1ADORA2B
SCHEMBL16457648 0.82 RXFP1 (0.78) TSHRKMT2AMEN1PKMADORA2B

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 TP53 4400/4885TSHR 4859/4885KMT2A 3581/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TP53 4573/4885TSHR 2721/4885KMT2A 4097/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TP53 4400/4885TSHR 4859/4885KMT2A 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.