SCHEMBL2004539

SCHEMBL2004539

Cc1c(CC(=O)O)c2cc(C(F)(F)F)c(Cl)cc2n1Cc1nc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.70
AKR1B1 P15121 16/20 0.48
P2RX7 Q99572 1/20 0.44
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL2007355 0.90 PTGDR2 (0.74) PTGDR2AKR1B1
SCHEMBL2006672 0.89 PTGDR2 (0.75) PTGDR2AKR1B1P2RX7PLA2G1BPLA2G2A
SCHEMBL2010331 0.86 PTGDR2 (0.67) PTGDR2AKR1B1PLA2G1BPLA2G2A
SCHEMBL2002085 0.84 PTGDR2 (0.70) PTGDR2AKR1B1
SCHEMBL2000681 0.84 PTGDR2 (0.79) PTGDR2AKR1B1
SCHEMBL2001831 0.84 PTGDR2 (0.79) PTGDR2AKR1B1PLA2G1BPLA2G2A
SCHEMBL27790170 0.83 PTGDR2 (0.50) PTGDR2AKR1B1P2RX7
SCHEMBL2005637 0.82 PTGDR2 (1.00) PTGDR2AKR1B1P2RX7PLA2G1BPLA2G2A
SCHEMBL2003155 0.82 PTGDR2 (0.75) PTGDR2AKR1B1PLA2G1BPLA2G2A
SCHEMBL2007317 0.80 PTGDR2 (0.73) PTGDR2AKR1B1PLA2G1BPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
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
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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 (2 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-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PTGDR2 28/4885AKR1B1 1466/4885P2RX7 875/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885AKR1B1 696/4885P2RX7 1928/4885

“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.