SCHEMBL6423348

SCHEMBL6423348

COc1cc2c(CC(=O)NC(C)(C)C(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.75
PTGS1 P23219 5/20 0.75
TP53 P04637 1/20 0.56
NPSR1 Q6W5P4 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
AKR1C3 P42330 3/20 0.55
MAPT P10636 3/20 0.55
ABCB1 P08183 2/20 0.55
KMT2A Q03164 2/20 0.55
AKR1C2 P52895 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
PTGES O14684 1/20 0.55
ABCC3 O15438 1/20 0.55
ABCC4 O15439 1/20 0.55
ABCB11 O95342 1/20 0.55
MT-CO2 P00403 1/20 0.55
LMNA P02545 1/20 0.55
ALB P02768 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL5559623 0.94 PTGS2 (0.67) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL6425677 0.93 PTGS2 (0.65) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL5559988 0.93 PTGS2 (0.65) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL5559824 0.91 PTGS2 (0.62) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL6425772 0.90 PTGS2 (0.61) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL5554450 0.89 PTGS2 (0.60) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL5812347 0.88 PTGS2 (0.56) PTGS2PTGS1NPSR1AKR1C3MAPT
SCHEMBL5560068 0.88 PTGS2 (0.79) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL2006053 0.86 PTGS2 (1.00) PTGS2PTGS1NPSR1AKR1C3MAPT
SCHEMBL5560721 0.86 PTGS2 (0.80) PTGS2PTGS1TP53NPSR1AKR1C3

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 2 patents. 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
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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 (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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS2 3/4885PTGS1 6/4885TP53 4851/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885TP53 4785/4885

“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.