SCHEMBL6024947

SCHEMBL6024947

Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.66
PTGS2 P35354 4/20 0.66
CNR2 P34972 10/20 0.55
CNR1 P21554 9/20 0.55
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
TSHR P16473 2/20 0.51
MTOR P42345 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49

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
SCHEMBL5801098 0.86 CNR1 (0.73) PTGS1PTGS2CNR2CNR1AKR1C3
SCHEMBL5797653 0.83 PTGS1 (0.74) PTGS1PTGS2CNR2CNR1AKR1C3
Acetic Acid SCHEMBL6025717 0.82 PTGS1 (0.71) PTGS1PTGS2CNR2CNR1AKR1C3
SCHEMBL5560443 0.81 PTGS1 (0.78) PTGS1PTGS2CNR2CNR1AKR1C3
SCHEMBL5550412 0.80 CNR2 (0.45) PTGS1PTGS2CNR2CNR1TSHR
SCHEMBL2465162 0.80 PTGS1 (0.80) PTGS1PTGS2AKR1C3AKR1C2TSHR
SCHEMBL2002967 0.80 PTGS1 (0.79) PTGS1PTGS2AKR1C3AKR1C2TSHR
SCHEMBL2996680 0.80 PTGS1 (1.00) PTGS1PTGS2AKR1C3AKR1C2MTOR
SCHEMBL2833584 0.80 CNR2 (0.85) PTGS2CNR2CNR1TSHRMTOR
SCHEMBL6026590 0.79 PTGS1 (0.70) PTGS1PTGS2AKR1C3AKR1C2TSHR

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 7 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
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US 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 (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-20050004104-A1 Methods for the protection of memory and cognition PTGES2, PTGS2, PTGS1 PTGS1 3/4885PTGS2 2/4885CNR2 393/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS1 7/4885PTGS2 4/4885CNR2 13/4885

“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.