SCHEMBL4206504

SCHEMBL4206504

CCN(CC)CCOc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C(=O)O)C3)c(NC(=O)NO)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 17/20 0.60
▸ CDK2AP1 O14519 6/20 0.60
▸ JAK3 P52333 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4706485 0.92 CHEK1 (0.72) CHEK1CDK2AP1
SCHEMBL4208380 0.92 CHEK1 (0.72) CHEK1CDK2AP1
SCHEMBL4216335 0.92 CHEK1 (0.72) CHEK1CDK2AP1
SCHEMBL5000956 0.91 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL4702699 0.88 CHEK1 (0.54) CHEK1CDK2AP1JAK3BTK
Trifluoroacetic Acid SCHEMBL4216009 0.88 CHEK1 (0.67) CHEK1CDK2AP1
Trifluoroacetic Acid SCHEMBL4211656 0.88 CHEK1 (0.67) CHEK1CDK2AP1
SCHEMBL4214970 0.88 CHEK1 (0.57) CHEK1CDK2AP1JAK3BTKHRH3
SCHEMBL4705891 0.85 CHEK1 (0.73) CHEK1CDK2AP1
SCHEMBL5815671 0.84 CHEK1 (0.53) CHEK1CDK2AP1JAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501814-B2 Selective androgen receptor modulators ORION CORPORATION (FI) 2013-08-06 — — US disclosed
EP-1991523-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORP (FI) 2012-08-15 — — EP disclosed
US-20090054525-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2009-02-26 — — US disclosed
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
EP-1991523-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2008-11-19 — — EP disclosed
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP disclosed
WO-2007099200-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS ORION CORPORATION (FI) 2007-09-07 — — WO disclosed
EP-1660474-A1 SUBSTITUTED THIOPHENES AND USES THEREOF AstraZeneca AB (SE) 2006-05-31 — — EP disclosed
WO-2005016909-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2005-02-24 — — 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 (2 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-20090054525-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, FSHR CHEK1 3825/4885CDK2AP1 3623/4885JAK3 4362/4885
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP CHEK1 297/4885CDK2AP1 2722/4885JAK3 649/4885

“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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