SCHEMBL6288565

SCHEMBL6288565

O=C(OC(CCCc1ccccc1)CCCc1ccccc1)[C@@H]1CCCCN1C(=O)N[C@@H](COP(=O)(O)O)Cc1cccc(F)c1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.85
FKBP1A P62942 15/20 0.55
ABCC1 P33527 1/20 0.42
FKBP4 Q02790 1/20 0.42
FKBP5 Q13451 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
SCHEMBL6288567 1.00 PIN1 (0.85) PIN1FKBP1AABCC1FKBP4FKBP5
SCHEMBL6277156 0.92 PIN1 (1.00) PIN1FKBP1AABCC1FKBP4FKBP5
SCHEMBL6332062 0.81 PIN1 (1.00) PIN1FKBP1A
SCHEMBL6274567 0.80 PIN1 (1.00) PIN1FKBP1AABCC1FKBP4FKBP5
SCHEMBL6272443 0.78 PIN1 (0.74) PIN1
SCHEMBL6326675 0.76 PIN1 (0.69) PIN1FKBP1AABCC1FKBP4FKBP5
SCHEMBL7228304 0.69 FKBP1A (0.77) PIN1FKBP1A
SCHEMBL5966132 0.69 FKBP1A (1.00) FKBP1A
SCHEMBL5965876 0.68 FKBP1A (1.00) FKBP1A
SCHEMBL6274827 0.68 PIN1 (0.59) PIN1FKBP1A

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 1/4885FKBP1A 21/4885ABCC1 2812/4885

“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.