SCHEMBL3499367

SCHEMBL3499367

COC(=O)C(Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.57
CTSK P43235 2/20 0.57
BCL2 P10415 1/20 0.56
PTPN1 P18031 3/20 0.54
YAP1 P46937 2/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
GPR34 Q9UPC5 2/20 0.52
PPARG P37231 1/20 0.51
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
KLK5 Q9Y337 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
REN P00797 1/20 0.48

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
SCHEMBL3499368 1.00 CTSS (0.57) CTSSCTSKBCL2PTPN1YAP1
SCHEMBL25382593 0.91 CTSS (0.67) CTSSCTSKITGB3ITGA2BACE
SCHEMBL479103 0.91 CTSS (0.67) CTSSCTSKITGB3ITGA2BACE
SCHEMBL479104 0.91 CTSS (0.67) CTSSCTSKITGB3ITGA2BACE
SCHEMBL3350988 0.90 BCL2 (0.64) CTSSCTSKBCL2PTPN1YAP1
SCHEMBL3498507 0.90 BCL2 (0.56) CTSSCTSKBCL2PTPN1YAP1
SCHEMBL3498509 0.90 BCL2 (0.56) CTSSCTSKBCL2PTPN1YAP1
SCHEMBL3500186 0.90 BCL2 (0.64) CTSSCTSKBCL2PTPN1YAP1
SCHEMBL6161729 0.90 BCL2 (0.64) CTSSCTSKBCL2PTPN1YAP1
SCHEMBL3499571 0.89 MME (0.54) CTSSCTSKBCL2PTPN1YAP1

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 3253/4885BCL2 2066/4885

“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.