SCHEMBL3000875

SCHEMBL3000875

Cc1c(CC(=O)O)c2cc(O)ccc2n1Cc1ccc(Br)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.74
PLA2G2A P14555 5/20 0.66
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
CYP2C19 P33261 2/20 0.59
PMP22 Q01453 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
PKM P14618 2/20 0.59
MEN1 O00255 1/20 0.59
RGS12 O14924 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
GNAI1 P63096 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
PLA2G1B P04054 1/20 0.58

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
SCHEMBL2004243 0.93 PLA2G2A (0.72) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL9230125 0.91 PTGS2 (0.79) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL6025562 0.89 MAPT (0.73) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL5437216 0.89 PLA2G2A (0.82) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL27905714 0.87 PTGS2 (0.64) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL12570775 0.86 PLA2G2A (0.58) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL8607505 0.85 PTGS2 (1.00) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL2004944 0.85 PTGS2 (0.54) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL2004123 0.84 PLA2G2A (0.71) PTGS2PLA2G2ALMNACYP1A2CYP3A4
SCHEMBL4211522 0.84 PTGDR2 (0.72) PTGS2PLA2G2ALMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP claimed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO claimed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 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-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP disclosed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 WO disclosed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 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-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 PTGS2 1/4885PLA2G2A 96/4885LMNA 4408/4885
US-20050004104-A1 Methods for the protection of memory and cognition PTGES2, PTGS2, PTGS1 PTGS2 2/4885PLA2G2A 1412/4885LMNA 3639/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PTGS2 45/4885PLA2G2A 3285/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGS2 460/4885PLA2G2A 326/4885LMNA 4536/4885

“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.