SCHEMBL2005779

SCHEMBL2005779

Cc1c(CC(=O)O)c2cc(C(F)(F)F)c(F)cc2n1Cc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.56
PLA2G2A P14555 12/20 0.55
PLA2G1B P04054 1/20 0.50
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
PMP22 Q01453 2/20 0.48
MEN1 O00255 1/20 0.48
RGS12 O14924 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
GNAI1 P63096 1/20 0.48

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
SCHEMBL2011874 0.91 PTGDR2 (0.57) PTGDR2PLA2G2APLA2G1BPTGESALOX5
SCHEMBL2007754 0.89 AKR1C3 (0.51) PTGDR2PLA2G2APLA2G1BPTGESALOX5
SCHEMBL2009192 0.89 PTGDR2 (0.61) PTGDR2PLA2G2APLA2G1BPTGESALOX5
SCHEMBL2008346 0.87 PPARG (0.51) PTGDR2PLA2G2APLA2G1BALOX5LMNA
SCHEMBL2996259 0.86 PTGDR2 (0.60) PTGDR2PLA2G2APLA2G1BPTGESALOX5
SCHEMBL4543998 0.82 PLA2G2A (0.50) PTGDR2PLA2G2APLA2G1BPTGESALOX5
SCHEMBL3006501 0.82 PTGDR2 (0.64) PTGDR2PLA2G2APLA2G1BPTGESALOX5
SCHEMBL2006287 0.82 PLA2G2A (0.66) PTGDR2PLA2G2APLA2G1BPTGESALOX5
SCHEMBL2005221 0.82 PTGDR2 (0.66) PTGDR2PLA2G2APLA2G1BPTGESALOX5
SCHEMBL15062720 0.82 PLA2G2A (0.43) PLA2G2APLA2G1BALOX5CYP1A2CYP3A4

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-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP 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-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP 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 28/4885PLA2G2A 486/4885PLA2G1B 481/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885PLA2G2A 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.