SCHEMBL21128728

SCHEMBL21128728

CC(S)C(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.67
▸ CA1 P00915 15/20 0.67
▸ CA2 P00918 15/20 0.67
▸ CA12 O43570 6/20 0.64
▸ USP2 O75604 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ CA14 Q9ULX7 2/20 0.60
▸ CA7 P43166 2/20 0.59
▸ DNASE1L3 Q13609 1/20 0.53
▸ PRMT1 Q99873 1/20 0.53
▸ ELF3 P78545 1/20 0.53
▸ MED23 Q9ULK4 1/20 0.53
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53

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
SCHEMBL12060571 0.93 CA9 (0.69) CA9CA1CA2CA12USP2
SCHEMBL12231957 0.88 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL15828111 0.88 CA9 (0.83) CA9CA1CA2CA12USP2
SCHEMBL18470198 0.88 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL23762521 0.87 CA9 (0.66) CA9CA1CA2CA12USP2
SCHEMBL23205535 0.86 DNASE1L3 (0.63) CA9CA1CA2CA12USP2
SCHEMBL13097493 0.86 CA9 (0.75) CA9CA1CA2CA12USP2
SCHEMBL19954964 0.86 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL12060447 0.86 CA9 (0.75) CA9CA1CA2CA12USP2
SCHEMBL2234764 0.86 CA9 (0.83) CA9CA1CA2CA12USP2

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-20190202862-A1 STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-07-04 — — 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-20190202862-A1 STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF VIP, NGLY1, IAPP CA9 1811/4885CA1 1006/4885CA2 3765/4885

“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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