SCHEMBL6424495

SCHEMBL6424495

Cc1ccc(C(=O)n2c(C)c(C(C(=O)O)C3CCC3)c3cc(O)c(Cl)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.37
PTGS1 P23219 2/20 0.37
MAPT P10636 2/20 0.34
SRC P12931 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MGLL Q99685 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ABCB1 P08183 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33

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
SCHEMBL6426919 0.98 PTGS2 (0.37) PTGS2PTGS1MAPTSRCLMNA
SCHEMBL6423862 0.94 PTGS2 (0.43) PTGS2PTGS1MAPTLMNAMGLL
SCHEMBL5553716 0.92 AKR1C3 (0.39) PTGS2PTGS1SRCMGLLAKR1C3
SCHEMBL5560922 0.92 SRC (0.39) PTGS2PTGS1SRCMGLLABCB1
SCHEMBL6426782 0.92 PTGS2 (0.43) PTGS2PTGS1MAPTLMNAMGLL
SCHEMBL6425530 0.90 SRC (0.39) PTGS2PTGS1SRCMGLLABCB1
SCHEMBL6423772 0.90 AKR1C3 (0.39) PTGS2PTGS1SRCAKR1C3AKR1C2
SCHEMBL6427353 0.90 LMNA (0.32) MAPTLMNAMGLLHSP90AA1HSP90AB1
SCHEMBL6423464 0.90 SRC (0.41) PTGS2PTGS1SRCMGLLAKR1C3
SCHEMBL6426755 0.89 HTR1E (0.33) LMNAMGLLHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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 (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 PTGS2 4/4885PTGS1 7/4885MAPT 4401/4885

“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.