SCHEMBL16086926

SCHEMBL16086926

CC(C)(C)OC(=O)CCSc1cnc(N)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.49
CCNE2 O96020 10/20 0.49
CCNE1 P24864 10/20 0.49
CCNB2 O95067 4/20 0.49
CDK1 P06493 4/20 0.49
CDK4 P11802 4/20 0.49
CCNB1 P14635 4/20 0.49
CCND1 P24385 4/20 0.49
CCNB3 Q8WWL7 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.39
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
STING1 Q86WV6 1/20 0.34
PTGS1 P23219 1/20 0.34
TSHR P16473 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL16724105 0.85 SMN1; SMN2 (0.41) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL999731 0.82 SMN1; SMN2 (0.56) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2667029 0.82 CDK2 (0.45) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL9072653 0.78 APEX1 (0.47) CDK2CCNE2CCNE1SMN1; SMN2MYC
SCHEMBL16086613 0.75 SMN1; SMN2 (0.53) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL12292 0.74 CCNE1 (0.59) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL2656865 0.73 CDK2 (0.49) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL738352 0.71 CDK2 (0.48) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL640218 0.71 MYC (0.47) CDK2CCNE2CCNE1SMN1; SMN2MYC
SCHEMBL688576 0.70 CCNB2 (0.64) CDK2CCNE2CCNE1CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921576-B2 Spiroindoline compound, and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-12-30 US disclosed
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD (JP) 2014-10-16 US disclosed
EP-2781521-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2014-09-24 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-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME GCKR, GCK, GALK1 CDK2 552/4885CCNE2 1668/4885CCNE1 1437/4885

“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.