SCHEMBL2005637

SCHEMBL2005637

Cc1c(CC(=O)O)c2cc(F)ccc2n1Cc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 1.00
PTGDR Q13258 3/20 0.52
PTGIR P43119 1/20 0.52
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AKR1B1 P15121 9/20 0.49
PLA2G1B P04054 1/20 0.48
PLA2G2A P14555 1/20 0.48
P2RX7 Q99572 1/20 0.47

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
SCHEMBL2001831 0.88 PTGDR2 (0.79) PTGDR2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL2000681 0.88 PTGDR2 (0.79) PTGDR2AKR1B1
SCHEMBL16558821 0.87 PTGDR2 (0.76) PTGDR2PTGDRPTGIRKDM4ELMNA
SCHEMBL2000586 0.87 PTGDR2 (0.76) PTGDR2KDM4ELMNACYP1A2CYP3A4
SCHEMBL2003155 0.86 PTGDR2 (0.75) PTGDR2KDM4ELMNACYP1A2CYP3A4
SCHEMBL2006672 0.86 PTGDR2 (0.75) PTGDR2AKR1B1PLA2G1BPLA2G2AP2RX7
SCHEMBL2007355 0.85 PTGDR2 (0.74) PTGDR2AKR1B1
SCHEMBL2090561 0.84 PTGDR2 (1.00) PTGDR2PTGDRPTGIRAKR1B1
SCHEMBL2007317 0.84 PTGDR2 (0.73) PTGDR2KDM4ELMNACYP1A2CYP3A4
SCHEMBL2010037 0.83 PTGDR2 (0.72) PTGDR2PTGDRPTGIRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
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-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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 (4 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PTGDR2 68/4885PTGDR 61/4885PTGIR 125/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PTGDR2 28/4885PTGDR 87/4885PTGIR 236/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885PTGDR 111/4885PTGIR 745/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PTGDR2 47/4885PTGDR 35/4885PTGIR 68/4885

“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.