SCHEMBL6427376

SCHEMBL6427376

Cc1c(C(C(=O)O)C2CCCC2)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
PTGS1 P23219 2/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
METAP2 P50579 2/20 0.39
METAP1 P53582 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL6426610 0.98 PTGS2 (0.44) PTGS2PTGS1CNR1CNR2L3MBTL1
SCHEMBL5560154 0.89 PTGS2 (0.56) PTGS2PTGS1KDM4EMEN1KMT2A
SCHEMBL6426400 0.89 TDP1 (0.41) PTGS2PTGS1ALDH1A1KDM4EMEN1
SCHEMBL6425904 0.88 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6423884 0.87 PTGS2 (0.56) PTGS2PTGS1KDM4EMEN1KMT2A
SCHEMBL6425817 0.87 AKR1C3 (0.40) PTGS2PTGS1ALDH1A1KDM4EMEN1
SCHEMBL6423706 0.86 L3MBTL1 (0.39) CNR1CNR2L3MBTL1ALDH1A1KDM4E
SCHEMBL6423232 0.86 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6426823 0.86 PTGS2 (0.42) PTGS2PTGS1MEN1KMT2AMGLL
SCHEMBL6424950 0.85 PTGS2 (0.43) PTGS2PTGS1MGLL

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 7/4885CNR1 55/4885

“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.