SCHEMBL6799708

SCHEMBL6799708

O=C(O)C[C@@H](O)CCc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 11/20 0.65
MMP13 P45452 10/20 0.65
MMP2 P08253 1/20 0.65
MMP9 P14780 1/20 0.65
MMP14 P50281 1/20 0.65
CYP1A2 P05177 1/20 0.58
SLC13A5 Q86YT5 1/20 0.50
SOX18 P35713 1/20 0.49
PDPK1 O15530 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
SCHEMBL6802719 0.86 CYP1A2 (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6795573 0.84 CYP1A2 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6801159 0.84 CYP1A2 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5320128 0.83 CYP1A2 (0.56) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8333817 0.81 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL687094 0.81 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4745347 0.81 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL27862101 0.81 CYP1A2 (0.57) CYP1A2SLC13A5SOX18PDPK1
SCHEMBL21443063 0.80 CYP1A2 (0.47) CYP1A2SLC13A5SOX18PDPK1
SCHEMBL5613354 0.79 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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 (3 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B MMP12 2293/4885MMP13 1956/4885MMP2 694/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B MMP12 2405/4885MMP13 2083/4885MMP2 686/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B MMP12 2237/4885MMP13 1881/4885MMP2 657/4885

“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.