SCHEMBL1503975

SCHEMBL1503975

CC[C@]1(C(=O)O)CC[C@H](NC(=O)OCc2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.44
▸ SYK P43405 1/20 0.44
▸ PDE4B Q07343 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ EPHX1 P07099 1/20 0.39

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
SCHEMBL28376797 0.85 CPB1 (0.47) CPB1SYKPDE4BALDH1A1GAA
SCHEMBL28380419 0.85 CPB1 (0.47) CPB1SYKPDE4BALDH1A1GAA
SCHEMBL3563686 0.81 KMT2A (0.56) CPB1SYKPDE4BALDH1A1GAA
SCHEMBL4033681 0.81 CPB1 (0.54) CPB1SYKPDE4BALDH1A1GAA
SCHEMBL742036 0.77 KMT2A (0.44) PDE4BKMT2AL3MBTL1KDM1AMAOB
SCHEMBL22617362 0.77 CPB1 (0.54) CPB1SYKPDE4BALDH1A1GAA
SCHEMBL740804 0.77 BTK (0.37) ALDH1A1GAAKMT2AL3MBTL1KDM1A
SCHEMBL5511308 0.77 BTK (0.37) ALDH1A1GAAKMT2AL3MBTL1KDM1A
SCHEMBL1504585 0.77 BTK (0.37) ALDH1A1GAAKMT2AL3MBTL1KDM1A
SCHEMBL3944460 0.77 ALDH1A1 (0.69) CPB1SYKALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — 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 (3 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R CPB1 3417/4885SYK 1675/4885PDE4B 4679/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CPB1 3108/4885SYK 2089/4885PDE4B 4705/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CPB1 136/4885SYK 1228/4885PDE4B 862/4885

“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.

Send feedback