SCHEMBL22797402

SCHEMBL22797402

CCCC(C)(C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
EPHX2 P34913 1/20 0.32
P2RX3 P56373 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL2042937 0.90 CA2 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL20001450 0.90 CA1 (0.31) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL15463273 0.84 CA1 (0.30) CA12CA1CA2CA9TGFBR1
SCHEMBL25009830 0.83 CCNA2 (0.31) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL11044 0.81
SCHEMBL10457 0.81
SCHEMBL11899084 0.79 SLC6A2 (0.59)
SCHEMBL23735054 0.79 EPHX2 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5951 0.78
SCHEMBL12986271 0.78 TGFBR1 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1

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-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 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-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS PEPD, NRDC, DPP4 CCNA2 4684/4885CDK2 4346/4885CCNA1 3870/4885

“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.