SCHEMBL3500945

SCHEMBL3500945

CCCC=CN(C=CCCC)CC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 6/20 0.39
TRPA1 O75762 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
SOAT1 P35610 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL1976480 0.75 FFAR3 (0.39) PGRADORA3HSD17B10ALOX15TDP1
SCHEMBL1976479 0.75 FFAR3 (0.39) PGRADORA3HSD17B10ALOX15TDP1
SCHEMBL25433374 0.74 CA12 (0.47) CA12CA1CA2CA9MGAM
SCHEMBL10892994 0.74 MGAM (0.46) CA12CA1CA2CA9MGAM
SCHEMBL710344 0.74 NR1I2 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3505842 0.74 NR1I2 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL710343 0.74 NR1I2 (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10892991 0.74 MGAM (0.46) CA12CA1CA2CA9MGAM
SCHEMBL14899313 0.71 NR1I2 (0.71) ALDH1A1NR1I2PGRADORA3PTGS2
SCHEMBL65107 0.69 CA12 (0.61) CA12CA1CA2CA9MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3159352-B1 STITCHED POLYPEPTIDES HARVARD COLLEGE (US) 2023-08-02 EP disclosed
US-10301351-B2 Stitched polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-05-28 US disclosed
EP-3159352-A1 STITCHED POLYPEPTIDES President and Fellows of Harvard College (US) 2017-04-26 EP disclosed
US-20170066799-A1 STITCHED POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-09 US disclosed
US-9556227-B2 Stitched polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-31 US disclosed
EP-2508531-B1 Stitched polypeptides HARVARD COLLEGE (US) 2016-10-19 EP disclosed
US-20140011979-A1 STITCHED POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-09 US disclosed
US-8592377-B2 Stitched polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-11-26 US disclosed
EP-2142562-B1 STITCHED POLYPEPTIDES HARVARD COLLEGE (US) 2013-07-03 EP disclosed
EP-2508531-A1 Stitched polypeptides President and Fellows of Harvard College (US) 2012-10-10 EP disclosed
US-20100184645-A1 STITCHED POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-07-22 US disclosed
EP-2142562-A2 STITCHED POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-01-13 EP disclosed
WO-2008121767-A2 STITCHED POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-09 WO 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 (4 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-20170066799-A1 STITCHED POLYPEPTIDES VIP, IAPP, NGLY1 CA12 1731/4885CA1 3243/4885CA2 3939/4885
US-20100184645-A1 STITCHED POLYPEPTIDES VIP, IAPP, NGLY1 CA12 1731/4885CA1 3243/4885CA2 3939/4885
US-10301351-B2 Stitched polypeptides VIP, IAPP, NGLY1 CA12 1731/4885CA1 3243/4885CA2 3939/4885
US-20140011979-A1 STITCHED POLYPEPTIDES VIP, IAPP, NGLY1 CA12 1731/4885CA1 3243/4885CA2 3939/4885

“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.