SCHEMBL535057

SCHEMBL535057

COCCCc1cccc(B(O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.66
LIPG Q9Y5X9 5/20 0.66
ENPP2 Q13822 6/20 0.59
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NLRP3 Q96P20 1/20 0.39
MGLL Q99685 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL12615490 0.90 ENPP2 (0.71) LPLLIPGENPP2CA1CA2
SCHEMBL20278668 0.84 LPL (0.67) LPLLIPGENPP2CA1CA2
SCHEMBL3138179 0.81 LPL (0.90) LPLLIPGENPP2CA1CA2
SCHEMBL12932655 0.81 ENPP2 (0.57) LPLLIPGENPP2CA1CA2
SCHEMBL12215760 0.80 LPL (0.56) LPLLIPGENPP2KDM4EALDH1A1
SCHEMBL1997891 0.79 LIPG (1.00) LPLLIPGENPP2CA1CA2
SCHEMBL29951479 0.79 ENPP2 (0.49) LPLLIPGENPP2
SCHEMBL8528 0.79 ENPP2 (0.61) LPLLIPGENPP2CA1CA2
SCHEMBL202958 0.79 LPL (0.69) LPLLIPGENPP2CA1CA2
SCHEMBL18486275 0.78 LPL (0.59) LPLLIPGENPP2NLRP3CYP4F2

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
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 LPL 474/4885LIPG 103/4885ENPP2 1266/4885

“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.