SCHEMBL6276477

SCHEMBL6276477

CC(=O)OCOP(=O)(OCOC(C)=O)OCC(Cc1ccccc1)NC(=O)c1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 0.46
CTSL P07711 1/20 0.41
ELANE P08246 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
TACR3 P29371 1/20 0.38
CAPN1 P07384 2/20 0.37
NCEH1 Q6PIU2 1/20 0.36
GLA P06280 1/20 0.36
CTSB P07858 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL6323829 0.84 PIN1 (0.63) PIN1CTSLNCEH1
SCHEMBL6276481 0.79 CTSL (0.36) PIN1CTSLELANEPTGDR2TACR3
SCHEMBL6325245 0.79 PIN1 (0.68) PIN1CTSLCTSBTACR1
SCHEMBL6272508 0.77 PIN1 (0.68) PIN1
SCHEMBL6326494 0.73 PIN1 (0.67) PIN1CAPN1CTSB
SCHEMBL6323808 0.73 PIN1 (0.75) PIN1GLA
SCHEMBL6271032 0.70 GAA (0.43) PIN1
SCHEMBL6325242 0.70 PIN1 (0.76) PIN1
SCHEMBL6325371 0.69 NPSR1 (0.48) PIN1CTSL
SCHEMBL6274827 0.69 PIN1 (0.59) PIN1

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 1/4885CTSL 3952/4885ELANE 3673/4885

“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.