SCHEMBL3800102

SCHEMBL3800102

CC(=O)c1cnc(NC(=O)C(C)(C)C)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ CDK5 Q00535 1/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 2/20 0.47
▸ CCNB2 O95067 1/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42

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
SCHEMBL3798125 0.83 CCNE1 (0.46) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL4522999 0.82 CCNE1 (0.59) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL3801161 0.81 CCNE1 (0.45) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL13125884 0.80 CCNE1 (0.42) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL12715493 0.80 CCNE1 (0.50) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL2880446 0.79 RAB9A (0.56) CCNE1CDK2SMN1; SMN2RAB9ANPC1
SCHEMBL9974179 0.78 SMN1; SMN2 (0.55) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL12715405 0.77 RAB9A (0.60) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL13543136 0.77 SMN1; SMN2 (0.60) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL13436511 0.75 CDK2 (0.67) CCNE1CDK2CDK5SMN1; SMN2CCNB2

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
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 — — US disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 — — US disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 — — US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 — — US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 — — US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 — — 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-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 CCNE1 4754/4885CDK2 4786/4885CDK5 4387/4885

“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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