SCHEMBL163516

SCHEMBL163516

CC(C)CNC(=O)c1cc[nH]c1[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 2/20 0.43
MLYCD O95822 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CA2 P00918 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
SCHEMBL162983 0.81 L3MBTL1 (0.43) TSHRHTTKMT2AGAAPOLB
SCHEMBL161741 0.78 L3MBTL1 (0.47) HSD17B10TSHRHTTKMT2AGAA
SCHEMBL15204743 0.75 MEN1 (0.55) TSHRHTTKMT2AHPGDALDH1A1
SCHEMBL165614 0.74 GAA (0.42) TSHRHTTKMT2AGAAHPGD
SCHEMBL21051099 0.74 HDAC1 (0.55) HSD17B10TSHRHTTKMT2AGAA
SCHEMBL9936906 0.73 GAA (0.51) HSD17B10TSHRHTTKMT2AGAA
SCHEMBL162725 0.72 POLB (0.59) HSD17B10TSHRHTTKMT2AGAA
SCHEMBL15074676 0.72 KMT2A (0.45) HSD17B10TSHRHTTKMT2AGAA
SCHEMBL19746790 0.71 POLB (0.57) HSD17B10TSHRHTTKMT2AGAA
SCHEMBL13840109 0.71 KDM4E (0.56) HSD17B10KMT2AGAAPOLBLMNA

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 HSD17B10 3364/4885TSHR 4862/4885HTT 72/4885

“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.