SCHEMBL6266326

SCHEMBL6266326

O=P(O)(O)OCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 5/20 1.00
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 1/20 0.56
▸ MMP2 P08253 6/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ MMP9 P14780 4/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ MMP7 P09237 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ LPAR1 Q92633 2/20 0.43
▸ LPAR3 Q9UBY5 2/20 0.43

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
SCHEMBL16450211 0.79 PIN1 (0.68) PIN1LPAR1LPAR3
SCHEMBL18406927 0.77 CTSL (0.64) PIN1CTSLCTSSMMP2CA2
SCHEMBL18406917 0.77 CTSL (0.64) PIN1CTSLCTSSMMP2CA2
SCHEMBL8532716 0.75 PIN1 (0.59) PIN1CTSLCTSSMMP2CA9
SCHEMBL6326006 0.75 PIN1 (1.00) PIN1CTSLLPAR1LPAR3
SCHEMBL6269412 0.75 PIN1 (0.75) PIN1LPAR1LPAR3
SCHEMBL7325853 0.74 CA2 (0.67) PIN1CTSLMMP2CA12CA9
SCHEMBL18405738 0.74 CTSL (0.59) PIN1CTSLCTSSMMP2CA2
SCHEMBL10779170 0.73 CA2 (0.65) PIN1CTSLMMP2CA12CA9
SCHEMBL10779164 0.73 CA2 (0.65) PIN1CTSLMMP2CA12CA9

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 3952/4885CTSS 3147/4885

“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.

Send feedback