SCHEMBL10112932

SCHEMBL10112932

CC1=C(C(=O)Nc2ccccc2)C(c2ccc(F)cc2)NC(=S)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
GAA P10253 4/20 0.62
MAPT P10636 1/20 0.62
TSHR P16473 1/20 0.57
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
DHFR P00374 1/20 0.52
THRB P10828 1/20 0.52
GUSB P08236 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL7694783 0.91 ALDH1A1 (0.72) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL10112940 0.88 ALDH1A1 (0.71) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL10280173 0.88 ALDH1A1 (0.65) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL7692642 0.84 ALDH1A1 (0.78) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL7691437 0.82 ALDH1A1 (0.65) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL7689750 0.81 ALDH1A1 (0.70) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL16497679 0.81 ALDH1A1 (0.64) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL16511360 0.79 ALDH1A1 (0.62) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL7690395 0.79 ALDH1A1 (1.00) ALDH1A1CYP2C9CYP2C19GAAMAPT
SCHEMBL16511484 0.78 ALDH1A1 (0.63) ALDH1A1CYP2C9CYP2C19GAAMAPT

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 ALDH1A1 540/4885CYP2C9 2647/4885CYP2C19 2785/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ALDH1A1 313/4885CYP2C9 4335/4885CYP2C19 4471/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALDH1A1 540/4885CYP2C9 2647/4885CYP2C19 2785/4885

“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.