SCHEMBL12628541

SCHEMBL12628541

COc1ccc2c(c1)c(Cc1ccc(Br)cc1)c(C)n2CCOc1nnc(-c2ccccn2)o1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
PLA2G2A P14555 8/20 0.40
PLA2G1B P04054 1/20 0.36

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
SCHEMBL2005137 0.84 PTGS2 (0.48) PTGS2PLA2G2APLA2G1B
SCHEMBL12628278 0.81 PTGS2 (0.43) PTGS2PLA2G2APLA2G1B
SCHEMBL12628604 0.77 PLA2G2A (0.34) PTGS2PLA2G2A
SCHEMBL2008798 0.77 PTGS2 (0.60) PTGS2PLA2G2APLA2G1B
SCHEMBL12628454 0.77 CNR1 (0.42) PTGS2PLA2G2A
SCHEMBL12570774 0.76 CES1 (0.47) PTGS2PLA2G2A
SCHEMBL2002519 0.75 FAAH (0.41) PTGS2PLA2G2A
SCHEMBL2006756 0.74 PTGS2 (0.51) PTGS2PLA2G2APLA2G1B
SCHEMBL12628455 0.70 MAPT (0.34) PTGS2PLA2G2A
SCHEMBL12628458 0.69 HCRTR2 (0.38) PTGS2PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGS2 460/4885PLA2G2A 326/4885PLA2G1B 220/4885

“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.