SCHEMBL2002208

SCHEMBL2002208

CCc1c(C(=O)O)c2cccc(O)c2n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.50
PLA2G2A P14555 11/20 0.46
PLA2G10 O15496 3/20 0.46
PLA2G1B P04054 3/20 0.46
PLA2G2E Q9NZK7 3/20 0.46
PLA2G2D Q9UNK4 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G5 P39877 2/20 0.44
PLA2G2F Q9BZM2 2/20 0.44
PLA2G6 O60733 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
PLA2G12B Q9BX93 1/20 0.44
PLA2G12A Q9BZM1 1/20 0.44
PLA2G3 Q9NZ20 1/20 0.44
ALOX5 P09917 1/20 0.43
NOTUM Q6P988 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL2004182 0.92 FABP4 (0.42) FABP4PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL2007254 0.90 PLA2G2A (0.42) FABP4PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL2008576 0.88 BID (0.41) FABP4PLA2G2AKDM4EMAPT
SCHEMBL2005799 0.82 PLA2G2A (0.52) FABP4PLA2G2APLA2G1B
SCHEMBL2004088 0.82 FABP4 (0.48) FABP4PLA2G2ASMN1; SMN2LMNATSHR
SCHEMBL2005738 0.80 PLA2G2A (0.57) PLA2G2APLA2G10PLA2G1BPLA2G2EPLA2G2D
SCHEMBL27789965 0.80 FABP4 (0.43) FABP4PLA2G2APLA2G10PLA2G1BPLA2G2E
SCHEMBL290764 0.76 PLA2G2A (0.67) PLA2G2ASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL2004858 0.76 PLA2G2A (0.58) PLA2G2APLA2G10PLA2G1BPLA2G2ELMNA
SCHEMBL17435239 0.76 P2RX4 (0.59) PLA2G2APLA2G10PLA2G1BPLA2G2EPLA2G2D

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 17 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
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
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
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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US 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-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 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 (3 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 FABP4 559/4885PLA2G2A 3285/4885PLA2G10 2670/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 FABP4 3309/4885PLA2G2A 486/4885PLA2G10 737/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FABP4 783/4885PLA2G2A 326/4885PLA2G10 487/4885

“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.