SCHEMBL9892741

SCHEMBL9892741

OB(O)c1ccc(C2OCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.41
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
TSHR P16473 1/20 0.39
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MGLL Q99685 2/20 0.37
KDM4E B2RXH2 1/20 0.35
F11 P03951 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL15863768 0.87 ENPP2 (0.41) ENPP2CA2CA1LPLLIPG
SCHEMBL12200925 0.83 ENPP2 (0.38) ENPP2CA2CA1LPLLIPG
SCHEMBL9911674 0.81 CYP2C19 (0.44) TSHRMEN1CYP2C19KMT2A
SCHEMBL16546388 0.76 ENPP2 (0.32) ENPP2CA2CA1LPLLIPG
SCHEMBL12419653 0.76 ENPP2 (0.42) ENPP2CA2CA1TSHRCA4
SCHEMBL7870157 0.72 CA2 (0.43) ENPP2CA2CA1LPLLIPG
SCHEMBL12419657 0.70 TSHR (0.44) ENPP2CA2CA1TSHRCA4
SCHEMBL12419660 0.70 TSHR (0.44) ENPP2CA2CA1TSHRCA4
SCHEMBL12419661 0.70 TSHR (0.44) ENPP2CA2CA1TSHRCA4
SCHEMBL12419654 0.70 TSHR (0.44) ENPP2CA2CA1TSHRCA4

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-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 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-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS ERG28, BET1, BRD3 ENPP2 4322/4885CA2 2919/4885CA1 3214/4885

“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.