SCHEMBL3498682

SCHEMBL3498682

COC(=O)[C@H](Cc1ccc(OCc2cccc(F)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
GRM5 P41594 1/20 0.54
YAP1 P46937 1/20 0.54
KLK5 Q9Y337 1/20 0.52
GPR34 Q9UPC5 2/20 0.52
PTPN1 P18031 3/20 0.52
BCL2 P10415 1/20 0.52
MAOB P27338 4/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.50
SCN9A Q15858 1/20 0.50
PPARG P37231 1/20 0.49

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
SCHEMBL3498679 1.00 CTSS (0.56) CTSSCTSKGRM5YAP1KLK5
SCHEMBL3498818 0.89 YAP1 (0.54) YAP1KLK5PTPN1BCL2MAOB
SCHEMBL3500952 0.89 CACNA1B (0.55) YAP1KLK5PTPN1BCL2MAOB
SCHEMBL3499367 0.89 CTSS (0.57) CTSSCTSKYAP1KLK5GPR34
SCHEMBL3499368 0.89 CTSS (0.57) CTSSCTSKYAP1KLK5GPR34
SCHEMBL3350988 0.87 BCL2 (0.64) CTSSCTSKYAP1KLK5PTPN1
SCHEMBL3500186 0.87 BCL2 (0.64) CTSSCTSKYAP1KLK5PTPN1
SCHEMBL6161729 0.87 BCL2 (0.64) CTSSCTSKYAP1KLK5PTPN1
SCHEMBL4934696 0.85 PTPN1 (0.58) CTSSCTSKYAP1KLK5PTPN1
SCHEMBL4934701 0.85 PTPN1 (0.58) CTSSCTSKYAP1KLK5PTPN1

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 CTSS 3589/4885CTSK 3253/4885GRM5 122/4885

“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.