SCHEMBL12060571

SCHEMBL12060571

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

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.69
▸ CA1 P00915 15/20 0.69
▸ CA2 P00918 15/20 0.69
▸ CA12 O43570 6/20 0.66
▸ USP2 O75604 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ CA14 Q9ULX7 2/20 0.62
▸ CA7 P43166 2/20 0.60
▸ DNASE1L3 Q13609 1/20 0.55
▸ PRMT1 Q99873 1/20 0.55
▸ ELF3 P78545 1/20 0.54
▸ MED23 Q9ULK4 1/20 0.54
▸ ADRA1D P25100 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ ADRA1B P35368 1/20 0.54

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
SCHEMBL23205535 0.94 DNASE1L3 (0.63) CA9CA1CA2CA12USP2
SCHEMBL21128728 0.93 CA9 (0.67) CA9CA1CA2CA12USP2
SCHEMBL23762521 0.91 CA9 (0.66) CA9CA1CA2CA12USP2
SCHEMBL12231957 0.90 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL15828111 0.89 CA9 (0.83) CA9CA1CA2CA12USP2
SCHEMBL18470198 0.89 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL13083473 0.88 CA9 (0.55) CA9CA1CA2CA12USP2
SCHEMBL13097493 0.88 CA9 (0.75) CA9CA1CA2CA12USP2
SCHEMBL19954964 0.88 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL12060447 0.88 CA9 (0.75) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE KYOTO UNIVERSITY (JP) 2023-06-08 — — US disclosed
US-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE KYOTO UNIVERSITY (JP) 2023-06-08 — — US disclosed
US-11332496-B2 Stapled and stitched polypeptides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-05-17 — — US disclosed
WO-2021062176-A2 POLYMERIC TANDEM DYES WITH LINKER GROUPS SONY CORPORATION (JP) 2021-04-01 — — WO disclosed
US-10919936-B2 — — 2021-02-16 — — US disclosed
US-20200308231-A9 SOLUTION-PHASE AFFINITY SELECTION OF INHIBITORS FROM COMBINATORIAL PEPTIDE LIBRARIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-10-01 — — US disclosed
US-20190300576-A1 SOLUTION-PHASE AFFINITY SELECTION OF INHIBITORS FROM COMBINATORIAL PEPTIDE LIBRARIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-10-03 — — US disclosed
US-10301351-B2 Stitched polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-05-28 — — US disclosed
US-20180057565-A1 STABILIZED POLYPEPTIDE INSULIN RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-01 — — US disclosed
US-9556227-B2 Stitched polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-31 — — US disclosed
US-9556227-B2 Stitched polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-31 — — US disclosed
US-9487562-B2 Stabilized polypeptides as regulators of RAB GTPase function PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-08 — — US disclosed
US-20160024153-A1 STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-01-28 — — US disclosed
US-20150225471-A1 STABILIZED POLYPEPTIDE INSULIN RECEPTOR MODULATORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-13 — — US disclosed
US-20140235549-A1 STABILIZED POLYPEPTIDES AS REGULATORS OF RAB GTPASE FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-08-21 — — US disclosed
US-20140011979-A1 STITCHED POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-09 — — US disclosed
EP-2508531-A1 Stitched polypeptides President and Fellows of Harvard College (US) 2012-10-10 — — EP disclosed
US-20110321183-A1 METHODS FOR LIGATION AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-12-29 — — US disclosed
US-20100184645-A1 STITCHED POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-07-22 — — 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 (13 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-20150225471-A1 STABILIZED POLYPEPTIDE INSULIN RECEPTOR MODULATORS IAPP, GLP1R, INSR CA9 3533/4885CA1 4509/4885CA2 4457/4885
US-20200308231-A9 SOLUTION-PHASE AFFINITY SELECTION OF INHIBITORS FROM COMBINATORIAL PEPTIDE LIBRARIES TP53, MDM2, MDM4 CA9 2395/4885CA1 294/4885CA2 1282/4885
US-20190300576-A1 SOLUTION-PHASE AFFINITY SELECTION OF INHIBITORS FROM COMBINATORIAL PEPTIDE LIBRARIES TP53, MDM2, MDM4 CA9 2395/4885CA1 294/4885CA2 1282/4885
US-20100184645-A1 STITCHED POLYPEPTIDES VIP, IAPP, NGLY1 CA9 2138/4885CA1 3243/4885CA2 3939/4885
US-10301351-B2 Stitched polypeptides VIP, IAPP, NGLY1 CA9 2138/4885CA1 3243/4885CA2 3939/4885
US-20160024153-A1 STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF VIP, NGLY1, F13A1 CA9 1529/4885CA1 879/4885CA2 3716/4885
US-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE IAPP, SPPL2B, VIP CA9 3180/4885CA1 1659/4885CA2 3885/4885
US-10919936-B2 — VIP, NGLY1, F12 CA9 1921/4885CA1 654/4885CA2 3278/4885
US-20140235549-A1 STABILIZED POLYPEPTIDES AS REGULATORS OF RAB GTPASE FUNCTION RHEB, RABL3, RIN1 CA9 4091/4885CA1 4297/4885CA2 4179/4885
US-20140011979-A1 STITCHED POLYPEPTIDES VIP, IAPP, NGLY1 CA9 2138/4885CA1 3243/4885CA2 3939/4885
US-20180057565-A1 STABILIZED POLYPEPTIDE INSULIN RECEPTOR MODULATORS IAPP, GLP1R, INSR CA9 3565/4885CA1 4513/4885CA2 4476/4885
US-11332496-B2 Stapled and stitched polypeptides and uses thereof VIP, NGLY1, IAPP CA9 1811/4885CA1 1006/4885CA2 3765/4885
US-20110321183-A1 METHODS FOR LIGATION AND USES THEREOF ACOT7, LYPLA1, ACSL3 CA9 1483/4885CA1 2809/4885CA2 3793/4885

“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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