SCHEMBL6324544

SCHEMBL6324544

O=C(NC(COP(=O)(O)O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 10/20 0.73
CTSL P07711 1/20 0.49
KMO O15229 1/20 0.47
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46
CTRB1 P17538 1/20 0.46

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
SCHEMBL6323785 0.86 PIN1 (0.77) PIN1CTSLLPAR1LPAR3CTRB1
SCHEMBL6326006 0.85 PIN1 (1.00) PIN1CTSLLPAR1LPAR3CTRB1
SCHEMBL6329760 0.85 PIN1 (1.00) PIN1CTSLLPAR1LPAR3
SCHEMBL6326344 0.85 PIN1 (1.00) PIN1CTSLLPAR1LPAR3
SCHEMBL6273717 0.82 PIN1 (0.85) PIN1CTSLLPAR1LPAR3
SCHEMBL6332073 0.80 PIN1 (0.82) PIN1LPAR1LPAR3
SCHEMBL6325255 0.78 PIN1 (0.64) PIN1CTSLLPAR1LPAR3
SCHEMBL6269412 0.77 PIN1 (0.75) PIN1LPAR1LPAR3CTRB1
SCHEMBL13754495 0.76 NPC1 (0.64) KMO
SCHEMBL6269703 0.76 PIN1 (0.72) PIN1CTSLLPAR1LPAR3

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 1/4885CTSL 3952/4885KMO 4304/4885

“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.