SCHEMBL6325268

SCHEMBL6325268

O=C(N[C@@H](COP(=O)(O)O)CC1CCCCC1)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.65
METAP2 P50579 4/20 0.53
METAP1 P53582 3/20 0.53
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
HTRA1 Q92743 5/20 0.44
ACP3 P15309 1/20 0.42
EPHX1 P07099 1/20 0.42
CASP1 P29466 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
SCHEMBL6329760 0.79 PIN1 (1.00) PIN1CTSL
SCHEMBL6326344 0.79 PIN1 (1.00) PIN1CTSL
SCHEMBL6258485 0.78 PIN1 (0.51) PIN1METAP2METAP1CTSLCTSS
SCHEMBL17843413 0.78 GRN (0.62) PIN1METAP2METAP1CTSLCTSS
SCHEMBL17843401 0.78 GRN (0.62) PIN1METAP2METAP1CTSLCTSS
SCHEMBL30334963 0.78 GRN (0.62) PIN1METAP2METAP1CTSLCTSS
SCHEMBL28979552 0.77 CTSS (0.66) METAP2METAP1CTSLCTSSCTSK
SCHEMBL6268440 0.77 PIN1 (0.79) PIN1METAP2
SCHEMBL29397792 0.77 CTSS (0.66) METAP2METAP1CTSLCTSSCTSK
SCHEMBL17859965 0.77 CTSS (0.66) METAP2METAP1CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250742-A1 Phosphate/sulfate ester compounds and pharmaceutical composition for inhibiting protein interacting NIMA (PIN1) PFIZER INC. 2005-11-10 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 (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 1/4885METAP2 1571/4885METAP1 1108/4885

“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.