SCHEMBL4448219

SCHEMBL4448219

Cc1ccc2c(=O)n([C@H](C)CO)ccc2c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.47
▸ LDHA P00338 3/20 0.33
▸ LDHB P07195 3/20 0.33
▸ ALB P02768 1/20 0.33
▸ XDH P47989 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27797214 0.85 P2RX7 (0.46) P2RX7LDHALDHBALBKDM4E
SCHEMBL4438657 0.85 P2RX7 (0.46) P2RX7LDHALDHBALBKDM4E
SCHEMBL8233333 0.81 P2RX7 (0.46) P2RX7KDM4E
SCHEMBL306972 0.79 PDE10A (0.43) P2RX7
SCHEMBL306913 0.78 P2RX7 (0.43) P2RX7
SCHEMBL17577837 0.77 P2RX7 (0.53) P2RX7KDM4E
SCHEMBL13114613 0.77 P2RX7 (0.53) P2RX7KDM4E
SCHEMBL305691 0.76 P2RX7 (0.43) P2RX7
SCHEMBL8132956 0.76 P2RX7 (0.46) P2RX7
SCHEMBL305725 0.76 P2RX7 (0.43) P2RX7

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
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 — — EP claimed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 — — US claimed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 — — WO claimed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 — — EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 — — US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 — — 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885LDHA 1978/4885LDHB 1374/4885

“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.

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