SCHEMBL5560922

SCHEMBL5560922

Cc1c(C(C(=O)O)C2CCC2)c2cc(O)c(Cl)cc2n1C(=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
PTGS2 P35354 7/20 0.36
PTGS1 P23219 2/20 0.36
MGLL Q99685 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
ABCB1 P08183 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32

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
SCHEMBL6425530 0.98 SRC (0.39) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL6424495 0.92 PTGS2 (0.37) SRCPTGS2PTGS1MGLLABCB1
SCHEMBL6423862 0.92 PTGS2 (0.43) PTGS2PTGS1MGLLABCB1
SCHEMBL5553716 0.91 AKR1C3 (0.39) SRCPTGS2PTGS1MGLL
SCHEMBL6426782 0.90 PTGS2 (0.43) PTGS2PTGS1MGLLABCB1
SCHEMBL6426919 0.90 PTGS2 (0.37) SRCPTGS2PTGS1MGLLABCB1
SCHEMBL6423772 0.89 AKR1C3 (0.39) SRCPTGS2PTGS1
SCHEMBL6425689 0.89 SRC (0.39) SRCPRKACAPRKACGPRKACBMGLL
SCHEMBL5554136 0.88 PTGS2 (0.50) PTGS2PTGS1ABCB1
SCHEMBL6423464 0.88 SRC (0.41) SRCPRKACAPRKACGPRKACBPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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 (1 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 SRC 3467/4885PRKACA 1966/4885PRKACG 1457/4885

“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.