SCHEMBL18089752

SCHEMBL18089752

CC(=O)N[C@H](C(=O)S)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19083900 0.79 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3453126 0.70 PLA2G2C (0.35) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17722836 0.69 ALDH1A1 (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17777044 0.69 ALDH1A1 (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17777043 0.69 ALDH1A1 (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3452658 0.69 CYP1A2 (0.35) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3453456 0.67 MAPT (0.32) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16877065 0.67 MAPT (0.32) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9522038 0.65
SCHEMBL17570499 0.65

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-9593149-B2 Amylin and calcitonin receptor agonist NOVO NORDISK A/S (DK) 2017-03-14 US disclosed
US-20160272683-A1 Novel Amylin And Calcitonin Receptor Agonist NOVO NORDISK A/S (DK) 2016-09-22 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 (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-20160272683-A1 Novel Amylin And Calcitonin Receptor Agonist SCTR, CALCRL, IAPP KDM4E 4152/4885MAPT 3535/4885THRB 140/4885

“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.