SCHEMBL17076771

SCHEMBL17076771

NC(=O)c1csc(C(O)(O)N2CCSCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.35
SCD O00767 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACHE P22303 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CYP2C9 P11712 1/20 0.31
SCN9A Q15858 1/20 0.31
OGA O60502 2/20 0.31

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
SCHEMBL15652641 0.74 PIM1 (0.38) SCN9A
SCHEMBL17761016 0.71 HPGD (0.46) HTR2BCYP2C19ACHEHRH3
SCHEMBL3262633 0.70 HTR2B (0.44) HTR2BSCDCYP2C19ACHECYP2C9
SCHEMBL457405 0.70 HTR2B (0.44) HTR2BCYP2C19ACHECYP2C9SCN9A
SCHEMBL22048957 0.63 OGA (0.52) SCDCYP2C19HRH3CYP2C9OGA
SCHEMBL28141436 0.62 HRH3 (0.50) SCDHRH3OGA
SCHEMBL2745784 0.61 HTR2B (0.49) HTR2BSCDCYP2C19ACHEHRH3
SCHEMBL692035 0.61
SCHEMBL1788277 0.61
Methane SCHEMBL19899593 0.61 ALDH1A1 (0.53) HTR2BCYP2C19ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 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 (5 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2B 1922/4885SCD 4484/4885CYP2C19 2941/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2B 1915/4885SCD 4689/4885CYP2C19 1846/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR2B 1922/4885SCD 4484/4885CYP2C19 2941/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR2B 1659/4885SCD 4217/4885CYP2C19 2888/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR2B 1659/4885SCD 4217/4885CYP2C19 2888/4885

“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.