SCHEMBL6329099

SCHEMBL6329099

O=C(NC(COP(=O)(O)O)Cc1ccccc1)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 9/20 0.72
ALDH1A1 P00352 2/20 0.51
LPAR1 Q92633 2/20 0.49
LPAR3 Q9UBY5 2/20 0.49
CTSL P07711 2/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.47

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
SCHEMBL6326006 0.84 PIN1 (1.00) PIN1LPAR1LPAR3CTSL
SCHEMBL6269412 0.81 PIN1 (0.75) PIN1LPAR1LPAR3
SCHEMBL6332054 0.80 PIN1 (0.65) PIN1ALDH1A1KMT2A
SCHEMBL6269703 0.80 PIN1 (0.72) PIN1ALDH1A1LPAR1LPAR3CTSL
SCHEMBL6272903 0.78 PIN1 (0.70) PIN1LPAR1LPAR3CTSL
SCHEMBL6272907 0.78 PIN1 (0.70) PIN1LPAR1LPAR3CTSL
SCHEMBL6267207 0.78 PIN1 (0.70) PIN1LPAR1LPAR3
SCHEMBL6326494 0.77 PIN1 (0.67) PIN1ALDH1A1LPAR1LPAR3
SCHEMBL6329760 0.77 PIN1 (1.00) PIN1LPAR1LPAR3CTSL
SCHEMBL6326344 0.77 PIN1 (1.00) PIN1LPAR1LPAR3CTSL

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 1/4885ALDH1A1 4852/4885LPAR1 3595/4885

“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.