SCHEMBL19153307

SCHEMBL19153307

CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NCCCCCn1cc(CCCC(=O)Nc2nnc(S(N)(=O)=O)s2)nn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NCCCCCn1cc(CCCC(=O)Nc2nnc(S(N)(=O)=O)s2)nn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 9/20 0.47
▸ ALB P02768 1/20 0.47
▸ CA2 P00918 11/20 0.44
▸ CA1 P00915 10/20 0.44
▸ CA4 P22748 8/20 0.44
▸ CA12 O43570 7/20 0.44
▸ CA3 P07451 7/20 0.44
▸ CA6 P23280 7/20 0.44
▸ CA5A P35218 7/20 0.44
▸ CA7 P43166 7/20 0.44
▸ CA13 Q8N1Q1 7/20 0.44
▸ CA14 Q9ULX7 7/20 0.44
▸ CA5B Q9Y2D0 7/20 0.44
▸ FOLH1 Q04609 6/20 0.43
▸ CCKBR P32239 2/20 0.41

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
SCHEMBL16983571 0.89 CA9 (0.53) CA9ALBCA2CA1CA4
SCHEMBL18475601 0.85 CA9 (0.49) CA9ALBCA2CA1CA4
SCHEMBL26258159 0.83 CA9 (0.47) CA9ALBCA2CA1CA4
SCHEMBL26258181 0.82 CA9 (0.47) CA9ALBCA2CA1CA4
SCHEMBL23894081 0.81 CA2 (0.56) CA9CA2CA1CA4CA12
SCHEMBL18476511 0.80 CA9 (0.43) CA9ALBCA2CA1CA4
SCHEMBL16983568 0.80 CA2 (0.52) CA9ALBCA2CA1CA4
SCHEMBL18476514 0.79 CA9 (0.42) CA9ALBCA2CA1CA4
SCHEMBL23900244 0.79 CA2 (0.52) CA9CA2CA1CA4CA12
SCHEMBL23900418 0.77 CA2 (0.60) CA9CA2CA1CA4CA12

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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CA9 32/4885ALB 1942/4885CA2 283/4885

“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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