SCHEMBL16724112

SCHEMBL16724112

O=CBNc1ncc(SCCC(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 12/20 0.44
▸ CDK2 P24941 12/20 0.44
▸ CCNE2 O96020 11/20 0.44
▸ APEX1 P27695 1/20 0.40
▸ GRM4 Q14833 1/20 0.37
▸ CDK4 P11802 5/20 0.36
▸ CCND1 P24385 5/20 0.36
▸ CCNB2 O95067 4/20 0.36
▸ CDK1 P06493 4/20 0.36
▸ CCNB1 P14635 4/20 0.36
▸ CCNB3 Q8WWL7 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13639769 0.78 CCNE1 (0.70) CCNE1CDK2CCNE2GRM4CDK4
SCHEMBL9072653 0.72 APEX1 (0.47) CCNE1CDK2CCNE2APEX1ALDH1A1
SCHEMBL12466 0.72 CCNE2 (0.58) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL998883 0.69 CCNE1 (0.43) CCNE1CDK2CCNE2GRM4CDK4
SCHEMBL1000561 0.69 CCNE1 (0.43) CCNE1CDK2CCNE2GRM4CDK4
SCHEMBL1002462 0.69 CCNE1 (0.43) CCNE1CDK2CCNE2GRM4CDK4
SCHEMBL1000207 0.69 CCNE1 (0.43) CCNE1CDK2CCNE2GRM4CDK4
SCHEMBL1240028 0.69 CCNE1 (0.46) CCNE1CDK2CCNE2GRM4CDK4
SCHEMBL9094223 0.68 APEX1 (0.42) CCNE1CDK2CCNE2APEX1ALDH1A1
SCHEMBL2606483 0.67 CDK2 (0.44) CCNE1CDK2CCNE2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133218-B2 Pesticidally active pyridyl- and pyrimidyl-substituted thiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2015-09-15 — — US disclosed
US-20150141423-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED THIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-05-21 — — 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 (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-20150141423-A1 PESTICIDALLY ACTIVE PYRIDYL- AND PYRIMIDYL- SUBSTITUTED THIAZOLE DERIVATIVES PLPBP, DDT, PIR CCNE1 2973/4885CDK2 401/4885CCNE2 3149/4885

“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.

Send feedback