SCHEMBL5558645

SCHEMBL5558645

COc1cc2c(CC(=O)O)c(C)n(C(=S)c3ccc(C)cc3)c2cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.54
AKR1C2 P52895 9/20 0.54
PTGS1 P23219 3/20 0.54
PTGS2 P35354 3/20 0.54
ABCB1 P08183 3/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
CYP2D6 P10635 2/20 0.45
HIF1A Q16665 2/20 0.45
AKR1C4 P17516 2/20 0.45
AKR1C1 Q04828 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PMP22 Q01453 2/20 0.45
MEN1 O00255 1/20 0.45
PTGES O14684 1/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45

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
SCHEMBL6427467 0.91 PTGS2 (0.46) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL5808422 0.90 PTGS2 (0.44) AKR1C3AKR1C2PTGS1PTGS2PTGES
SCHEMBL5433909 0.89 AKR1C3 (0.68) AKR1C3AKR1C2PTGS1PTGS2ABCB1
SCHEMBL5559194 0.89 PTGS2 (0.48) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL5797285 0.89 PTGS1 (0.45) AKR1C3AKR1C2PTGS1PTGS2ABCB1
SCHEMBL5801124 0.88 PTGS2 (0.43) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL5799879 0.87 PTGS2 (0.43) AKR1C3AKR1C2PTGS1PTGS2ABCB1
SCHEMBL6426638 0.87 PTGS2 (0.44) AKR1C3AKR1C2PTGS1PTGS2PTGES
SCHEMBL5554128 0.87 PTGS2 (0.44) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL5558589 0.87 PTGS2 (0.42) AKR1C3AKR1C2PTGS1PTGS2LMNA

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 5 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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 AKR1C3 585/4885AKR1C2 342/4885PTGS1 6/4885

“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.