SCHEMBL1313588

SCHEMBL1313588

CCCCCCCCc1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HDAC3 O15379 5/20 0.45
▸ HDAC4 P56524 5/20 0.45
▸ HDAC1 Q13547 5/20 0.45
▸ HDAC7 Q8WUI4 5/20 0.45
▸ HDAC2 Q92769 5/20 0.45
▸ HDAC10 Q969S8 5/20 0.45
▸ HDAC11 Q96DB2 5/20 0.45
▸ HDAC8 Q9BY41 5/20 0.45
▸ HDAC6 Q9UBN7 5/20 0.45
▸ HDAC9 Q9UKV0 5/20 0.45
▸ HDAC5 Q9UQL6 5/20 0.45
▸ CDC25A P30304 1/20 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
SCHEMBL12327207 0.83 GAA (0.64) GAAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL10220900 0.81 GAA (0.51) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL27913336 0.80 LOXL2 (0.64) ALDH1A1HTTHDAC3HDAC4HDAC1
SCHEMBL1313088 0.80 LOXL2 (0.49) GAAKDM4EALDH1A1L3MBTL1HDAC3
SCHEMBL202106 0.77 GAA (0.59) GAAKDM4EALDH1A1HTTCDC25A
SCHEMBL12434487 0.77 GAA (0.59) GAAKDM4EALDH1A1HTTCDC25A
SCHEMBL5093936 0.77 GAA (0.59) GAAKDM4EALDH1A1HTTCDC25A
SCHEMBL10220902 0.77 GAA (0.59) GAAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL12351811 0.75 LOXL2 (0.66) ALDH1A1HTTHDAC3HDAC4HDAC1
SCHEMBL15961060 0.74 GAA (0.56) GAAKDM4EALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 — — 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 TSHR 3295/4885HSD17B10 914/4885GAA 949/4885

“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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