SCHEMBL6325371

SCHEMBL6325371

CC(=O)OCOP(=O)(OCOC(C)=O)OCC(Cc1ccccc1)NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.46
PIN1 Q13526 5/20 0.40
MME P08473 1/20 0.38
CTSL P07711 1/20 0.36
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
MMEL1 Q495T6 1/20 0.34

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
SCHEMBL6331031 0.86 PIN1 (0.56) NPSR1MAPTALDH1A1MAPK1PIN1
SCHEMBL6271032 0.73 GAA (0.43) ALDH1A1MAPK1PIN1
SCHEMBL6276477 0.69 PIN1 (0.46) PIN1CTSL
SCHEMBL6323808 0.69 PIN1 (0.75) PIN1
SCHEMBL6274827 0.66 PIN1 (0.59) ALDH1A1PIN1MMEMMEL1
SCHEMBL6325242 0.65 PIN1 (0.76) PIN1
SCHEMBL10379563 0.64 GLA (0.46) ALDH1A1
SCHEMBL4673037 0.64 ALDH1A1 (0.68) NPSR1MAPTALDH1A1MAPK1
SCHEMBL6323785 0.64 PIN1 (0.77) PIN1CTSLLPAR1LPAR3
SCHEMBL19509036 0.63 ALDH1A1 (0.61) MAPTALDH1A1MAPK1

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 NPSR1 1587/4885MAPT 110/4885ALDH1A1 4852/4885

“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.