SCHEMBL3499571

SCHEMBL3499571

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
BCL2 P10415 1/20 0.54
YAP1 P46937 2/20 0.54
PTPN1 P18031 3/20 0.52
MAOB P27338 2/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
PPARG P37231 2/20 0.49
PPARA Q07869 1/20 0.49
KLK5 Q9Y337 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
SCHEMBL3499574 1.00 MME (0.54) MMEACECPA1ACE2BCL2
SCHEMBL3969369 0.91 MEN1 (0.60) BCL2YAP1PTPN1ITGB3ITGA2B
SCHEMBL3969368 0.91 MEN1 (0.60) BCL2YAP1PTPN1ITGB3ITGA2B
SCHEMBL1741897 0.91 NOS3 (0.57) ACEITGB3ITGA2BNOS3NOS1
SCHEMBL1741898 0.91 NOS3 (0.57) ACEITGB3ITGA2BNOS3NOS1
SCHEMBL3499368 0.89 CTSS (0.57) MMEACECPA1ACE2BCL2
SCHEMBL3499367 0.89 CTSS (0.57) MMEACECPA1ACE2BCL2
SCHEMBL3350988 0.88 BCL2 (0.64) BCL2YAP1PTPN1ITGB3ITGA2B
SCHEMBL3500186 0.88 BCL2 (0.64) BCL2YAP1PTPN1ITGB3ITGA2B
SCHEMBL6161729 0.88 BCL2 (0.64) BCL2YAP1PTPN1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679400-B Psamaplin A derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2022-10-04 CN disclosed
CN-112679400-A Psamaplin A derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2021-04-20 CN disclosed
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 MME 4127/4885ACE 4501/4885CPA1 1889/4885

“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.