SCHEMBL22958076

SCHEMBL22958076

CC(=O)N1Cc2[nH]nc(SS)c2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.47
CDK2 P24941 8/20 0.47
CCNA1 P78396 8/20 0.47
AURKA O14965 6/20 0.47
MAPK1 P28482 1/20 0.39
EP300 Q09472 9/20 0.38
CREBBP Q92793 9/20 0.38
BRD4 O60885 1/20 0.38
RBP4 P02753 2/20 0.36

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
SCHEMBL23642304 0.79 CCNA2 (0.50) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL16123821 0.77 CCNA2 (0.53) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL2923653 0.76 CCNA2 (0.50) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL17229680 0.73 CCNA2 (0.48) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL12057801 0.73 CCNA2 (0.61) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL19831854 0.73 MAPK1 (0.45) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL2922187 0.72 CCNA2 (0.67) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL20033638 0.70 AURKA (0.35) CCNA2CDK2CCNA1AURKARBP4
SCHEMBL5720802 0.69 BRD4 (0.62) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL2913589 0.69 CCNA2 (0.63) CCNA2CDK2CCNA1AURKAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-02-09 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-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 CCNA2 1032/4885CDK2 753/4885CCNA1 1085/4885

“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.