SCHEMBL3498861

SCHEMBL3498861

COC(=O)[C@H](Cc1ccc(OCc2ccsc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.55
▸ CTSK P43235 2/20 0.55
▸ BCL2 P10415 3/20 0.51
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ PTPN1 P18031 3/20 0.49
▸ YAP1 P46937 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ REN P00797 1/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ MCL1 Q07820 1/20 0.42

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
SCHEMBL24177182 0.88 CTSS (0.68) CTSSCTSKITGB3ITGA2BKLK5
SCHEMBL3500186 0.85 BCL2 (0.64) CTSSCTSKBCL2ITGB3ITGA2B
SCHEMBL6161729 0.85 BCL2 (0.64) CTSSCTSKBCL2ITGB3ITGA2B
SCHEMBL3498509 0.85 BCL2 (0.56) CTSSCTSKBCL2ITGB3ITGA2B
SCHEMBL3498507 0.85 BCL2 (0.56) CTSSCTSKBCL2ITGB3ITGA2B
SCHEMBL3350988 0.85 BCL2 (0.64) CTSSCTSKBCL2ITGB3ITGA2B
SCHEMBL3498037 0.84 BCL2 (0.56) CTSSCTSKBCL2ITGB3ITGA2B
SCHEMBL3499368 0.84 CTSS (0.57) CTSSCTSKBCL2ITGB3ITGA2B
SCHEMBL3499367 0.84 CTSS (0.57) CTSSCTSKBCL2ITGB3ITGA2B
SCHEMBL3969369 0.84 MEN1 (0.60) CTSSCTSKBCL2ITGB3ITGA2B

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.

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