SCHEMBL160323

SCHEMBL160323

CCOC(=O)c1ccnnc1[O]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
NUDT1 P36639 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CASP1 P29466 1/20 0.43
CYP1A2 P05177 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL159284 0.87 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10KDM4EESR1
SCHEMBL3598344 0.84 TSHR (0.53) TSHRNUDT1ALDH1A1HSD17B10CA12
SCHEMBL158281 0.84 TSHR (0.57) TSHRALDH1A1HSD17B10CYP1A2KDM4E
SCHEMBL31316179 0.83 TSHR (0.52) TSHRNUDT1ALDH1A1HSD17B10CA12
SCHEMBL4763799 0.83 TSHR (0.52) TSHRNUDT1ALDH1A1HSD17B10CA12
SCHEMBL5767934 0.83 TSHR (0.52) TSHRNUDT1ALDH1A1HSD17B10CA12
SCHEMBL162981 0.82 ALDH1A1 (0.56) TSHRALDH1A1HSD17B10CA2KMT2A
SCHEMBL8884627 0.81 TSHR (0.50) TSHRNUDT1ALDH1A1HSD17B10CA12
SCHEMBL4169677 0.81 ALDH1A1 (0.51) TSHRNUDT1ALDH1A1HSD17B10CASP1
SCHEMBL30062437 0.81 TSHR (0.50) TSHRNUDT1ALDH1A1HSD17B10CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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 (1 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TSHR 4862/4885NUDT1 625/4885ALDH1A1 1667/4885

“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.