SCHEMBL797557

SCHEMBL797557

CNC(CCC(=O)OC)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
SLC1A1 P43005 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 3/20 0.36
LMNA P02545 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL27109390 1.00 TSHR (0.48) TSHRSLC1A1MGAMGAASI
SCHEMBL19487360 1.00 TSHR (0.48) TSHRSLC1A1MGAMGAASI
SCHEMBL17817738 0.83 SLC1A1 (0.49) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL15180397 0.83 TSHR (0.48) TSHRSLC1A1MGAMGAASI
SCHEMBL13790646 0.83 SLC1A1 (0.49) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL24445692 0.83 TSHR (0.48) TSHRSLC1A1MGAMGAASI
SCHEMBL8288900 0.82 L3MBTL1 (0.57) TSHRMGAMGAASIMGAM2
SCHEMBL797542 0.82 L3MBTL1 (0.57) TSHRMGAMGAASIMGAM2
SCHEMBL25530071 0.82 L3MBTL1 (0.38) TSHRKMT2AL3MBTL1KDM4EHSD17B10
SCHEMBL13790912 0.82 TSHR (0.46) TSHRSLC1A1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073622-A2 RADIOPHARMACEUTICAL COMPOSITIONS TARGETING EPHRIN TYPE-A RECEPTOR 2 AND USES THEREOF RAYZEBIO, INC. (US) 2024-04-04 WO disclosed
US-8933030-B2 Treatments for gastrointestinal disorders Ironwwod Pharmaceuticals, Inc. (US) 2015-01-13 US disclosed
US-8911710-B2 Intravascular contrast agents AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-12-16 US disclosed
US-20140073571-A9 Treatments for Gastrointestinal Disorders WELLS FARGO BANK, NATIONAL ASSOCIATION 2014-03-13 US disclosed
US-20130190238-A1 Treatments for Gastrointestinal Disorders FRETZEN ANGELIKA (US) 2013-07-25 US disclosed
US-20120071612-A1 METHOD FOR THE PRODUCTION OF POLYAMINO ACID RANDOM COPOLYMERS SIGMA-ALDRICH CO., LLC (US) 2012-03-22 US disclosed
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-12-10 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 (3 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-20130190238-A1 Treatments for Gastrointestinal Disorders GRPR, GIPR, GCGR TSHR 1054/4885SLC1A1 4237/4885MGAM 1255/4885
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP TSHR 1777/4885SLC1A1 919/4885MGAM 2491/4885
US-20140073571-A9 Treatments for Gastrointestinal Disorders GRPR, GIPR, GCGR TSHR 1054/4885SLC1A1 4237/4885MGAM 1255/4885

“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.