SCHEMBL10036087

SCHEMBL10036087

CCN1C(C)=CS/C1=C1\SC(=S)N(CCC(=O)O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ MAPT P10636 8/20 0.44
▸ RECQL P46063 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CISD1 Q9NZ45 2/20 0.44
▸ MAPK1 P28482 2/20 0.44

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
SCHEMBL11878882 0.88 KMT2A (0.48) ALDH1A1HSD17B10KDM4EPOLBKMT2A
SCHEMBL11878875 0.88 KMT2A (0.48) ALDH1A1HSD17B10KDM4EPOLBKMT2A
SCHEMBL14273144 0.86 KMT2A (0.60) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL10036089 0.84 KMT2A (0.46) ALDH1A1HSD17B10KDM4EPOLBKMT2A
SCHEMBL11319535 0.78 KMT2A (0.57) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL11319531 0.78 KMT2A (0.57) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL1773565 0.78 KMT2A (0.60) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL10661708 0.76 MEN1 (0.76) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL9857468 0.73 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EPOLBKMT2A
SCHEMBL9054686 0.71 MEN1 (0.60) ALDH1A1HSD17B10KDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 — — US disclosed
US-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 — — 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 (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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT SNCA, PSEN1, CDR2 ALDH1A1 2810/4885HSD17B10 3202/4885KDM4E 3242/4885

“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.

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