SCHEMBL3358349

SCHEMBL3358349

c1ccc(CCNCCCC2SCCCS2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.54
CYP2D6 P10635 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
SCHEMBL7277950 0.84 FAAH (0.45)
Oxalic Acid SCHEMBL10558479 0.79 TAAR1 (0.41) SIGMAR1
SCHEMBL10453660 0.74 SIGMAR1 (0.91) SIGMAR1
SCHEMBL9768701 0.74 SIGMAR1 (0.86) SIGMAR1
Oxalic Acid SCHEMBL10560742 0.73 DPP4 (0.42) SIGMAR1CYP2D6
SCHEMBL4258936 0.73 KDM4E (0.44)
SCHEMBL625373 0.72 SIGMAR1 (1.00) SIGMAR1
SCHEMBL20689719 0.72 SIGMAR1 (0.91) SIGMAR1
SCHEMBL7272554 0.72 SIGMAR1 (0.91) SIGMAR1
SCHEMBL283735 0.72 SIGMAR1 (0.81) SIGMAR1CYP2D6

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
CN-101679406-B Thiazolyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
CN-101679406-A Thiazolyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2010-03-24 CN disclosed
EP-2132203-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-16 EP disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 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-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS TTBK1, ERBB2, TEC SIGMAR1 3965/4885CYP2D6 2914/4885

“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.