SCHEMBL6274827

SCHEMBL6274827

CC(=O)OCOP(=O)(OCOC(C)=O)OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.59
MME P08473 1/20 0.51
MMEL1 Q495T6 1/20 0.51
ACE P12821 8/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACE2 Q9BYF1 5/20 0.43
FKBP1A P62942 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
SCHEMBL6272443 0.85 PIN1 (0.74) PIN1MMEMMEL1ACELTA4H
SCHEMBL6274821 0.77 PIN1 (0.51) PIN1MMEMMEL1ACEATM
SCHEMBL6332062 0.74 PIN1 (1.00) PIN1FKBP1A
SCHEMBL6271032 0.72 GAA (0.43) PIN1ATML3MBTL1ALDH1A1
SCHEMBL6277156 0.72 PIN1 (1.00) PIN1FKBP1A
SCHEMBL6276477 0.69 PIN1 (0.46) PIN1
SCHEMBL6274825 0.68 MME (0.44) PIN1MMEMMEL1ACEATM
SCHEMBL3701523 0.67 MME (1.00) MMEMMEL1ACEACE2
SCHEMBL6273394 0.67 PIN1 (0.55) PIN1ACELTA4HACE2FKBP1A
SCHEMBL2705927 0.67 MME (1.00) MMEMMEL1ACEACE2

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
EP-1603926-A1 PHOSPHATE/SULFATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN INTERACTING NIMA (PIN1) PFIZER INC. (US) 2005-12-14 EP disclosed
US-20050250742-A1 Phosphate/sulfate ester compounds and pharmaceutical composition for inhibiting protein interacting NIMA (PIN1) PFIZER INC. 2005-11-10 US disclosed
WO-2004087720-A1 PHOSPHATE/SULFATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN INTERACTING NIMA (PIN1) PFIZER INC. (US) 2004-10-14 WO 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-20050250742-A1 Phosphate/sulfate ester compounds and pharmaceutical composition for inhibiting protein interacting NIMA (PIN1) PIN1, PSTPIP2, NIM1K PIN1 1/4885MME 717/4885MMEL1 1160/4885

“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.