SCHEMBL10112913

SCHEMBL10112913

COC(=O)C1=C(C)NC(=S)NC1c1ccc(O)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.74
ALDH1A1 P00352 7/20 0.74
MAPT P10636 3/20 0.74
KDM4E B2RXH2 1/20 0.72
NPC1 O15118 1/20 0.72
RAB9A P51151 1/20 0.72
L3MBTL1 Q9Y468 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
GUSB P08236 1/20 0.59
TSHR P16473 3/20 0.56
BLM P54132 1/20 0.56
MAPK10 P53779 2/20 0.56
HTT P42858 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
SCHEMBL13419868 0.90 GAA (0.70) GAAALDH1A1MAPTKDM4ENPC1
SCHEMBL10112925 0.87 GAA (0.80) GAAL3MBTL1GUSBTSHRBLM
SCHEMBL10113522 0.85 ALDH1A1 (0.61) GAAALDH1A1MAPTKDM4ENPC1
SCHEMBL10144756 0.84 ALDH1A1 (0.76) GAAALDH1A1MAPTKDM4ENPC1
SCHEMBL7690365 0.81 GUSB (0.74) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4669190 0.80 ALDH1A1 (0.67) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10112742 0.80 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2GUSBHTT
SCHEMBL31541537 0.79 GUSB (0.64) ALDH1A1MAPTKDM4ESMN1; SMN2GUSB
SCHEMBL7690576 0.78 DHFR (0.76) ALDH1A1MAPTKDM4EGUSBHTT
SCHEMBL15976549 0.77 GAA (0.77) GAARAB9AL3MBTL1SMN1; SMN2TSHR

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 10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GAA 876/4885ALDH1A1 540/4885MAPT 1311/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 GAA 876/4885ALDH1A1 540/4885MAPT 1311/4885

“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.