SCHEMBL4902697

SCHEMBL4902697

CCCNC(=O)C1OC1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.48
CAPN1 P07384 5/20 0.44
CAPN9 O14815 2/20 0.44
CTSB P07858 2/20 0.44
MAPK1 P28482 2/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.37
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSH P09668 1/20 0.36
CTSS P25774 1/20 0.36
CTSC P53634 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1121704 1.00 SUCNR1 (0.48) SUCNR1CAPN1CAPN9CTSBMAPK1
SCHEMBL11165832 0.87 POLB (0.44) SUCNR1CAPN1CAPN9CTSBMAPK1
SCHEMBL11176189 0.85 POLB (0.50) POLBEPHX1
SCHEMBL11178096 0.83 SUCNR1 (0.52) SUCNR1CAPN1CAPN9CTSBMAPK1
SCHEMBL6069649 0.83 SUCNR1 (0.52) SUCNR1CAPN1CAPN9CTSBMAPK1
SCHEMBL11171510 0.82 SUCNR1 (0.50) SUCNR1CAPN1CAPN9CTSBMAPK1
SCHEMBL11178934 0.79 CAPN1 (0.67) SUCNR1CAPN1CAPN9CTSBMAPK1
SCHEMBL16488181 0.79 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14067709 0.78 CAPN1 (0.51) CAPN1CTSBCHRNB2CHRNB4CHRNA3
SCHEMBL11174784 0.78 CAPN1 (0.65) SUCNR1CAPN1CAPN9CTSBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228699-A1 COMPOSITIONS AND METHODS FOR TARGETED IMMUNOTHERAPY DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-29 US disclosed
US-20080227806-A1 Novel Drugs for Dementia AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2008-09-18 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 (2 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-20080227806-A1 Novel Drugs for Dementia CTSS, PRSS1, CBS SUCNR1 2175/4885CAPN1 273/4885CAPN9 428/4885
US-20210228699-A1 COMPOSITIONS AND METHODS FOR TARGETED IMMUNOTHERAPY TP53, CD47, MSH2 SUCNR1 4548/4885CAPN1 1325/4885CAPN9 373/4885

“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.