SCHEMBL6277972

SCHEMBL6277972

O=C(OC(CCCc1ccccc1)CCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)NC(COS(=O)(=O)O)Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.75
FKBP1A P62942 17/20 0.63
FKBP4 Q02790 1/20 0.48
FKBP5 Q13451 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
SCHEMBL6267180 0.87 FKBP1A (0.61) PIN1FKBP1A
SCHEMBL6274567 0.86 PIN1 (1.00) PIN1FKBP1AFKBP4FKBP5
SCHEMBL6272176 0.84 PIN1 (0.53) PIN1FKBP1A
SCHEMBL6269509 0.81 PIN1 (0.49) PIN1FKBP1A
SCHEMBL7506392 0.80 FKBP1A (0.73) PIN1FKBP1AFKBP4FKBP5
SCHEMBL7227496 0.80 FKBP1A (0.73) PIN1FKBP1AFKBP4FKBP5
SCHEMBL7227728 0.77 FKBP1A (0.65) PIN1FKBP1AFKBP4FKBP5
SCHEMBL7504251 0.76 FKBP1A (0.66) PIN1FKBP1AFKBP4FKBP5
SCHEMBL6270558 0.76 PIN1 (0.72) PIN1FKBP1A
SCHEMBL7221865 0.76 FKBP1A (0.66) PIN1FKBP1AFKBP4FKBP5

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 21/4885FKBP4 58/4885

“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.