SCHEMBL1706178

SCHEMBL1706178

CC(C)c1cc(O)nc(S)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL22179680 0.78
SCHEMBL1706014 0.77 NOS3 (0.39) NOS3NOS1NOS2L3MBTL1CYP3A4
SCHEMBL11547726 0.76 NOS3 (0.42) NOS3NOS1NOS2L3MBTL1CYP3A4
SCHEMBL97719 0.75
SCHEMBL5746657 0.74 HRH3 (0.46) NOS3NOS1NOS2
SCHEMBL30764120 0.73 MEN1 (0.30)
SCHEMBL30764121 0.73 MEN1 (0.30)
SCHEMBL28910743 0.73 MEN1 (0.30)
SCHEMBL8207621 0.73 MEN1 (0.30)
SCHEMBL16477747 0.71 PTGS1 (0.39) NOS3NOS1NOS2L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459187-B Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2015-06-17 CN disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
CN-102459187-A Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2012-05-16 CN disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-5270318-A Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0533869-A1 NEMATICIDAL PYRIMDINE DERIVATIVES ZENECA LIMITED (GB) 1993-03-31 EP disclosed
WO-1992017459-A1 NEMATICIDAL PYRIMDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-15 WO disclosed
EP-0506269-A1 Nematicide pyrimidine derivatives ZENECA LIMITED (GB) 1992-09-30 EP 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NOS3 900/4885NOS1 894/4885NOS2 1070/4885

“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.