SCHEMBL5812334

SCHEMBL5812334

Cc1c(CCC(=O)NC[C@H](C)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.40
AKR1C2 P52895 4/20 0.40
PTGS2 P35354 4/20 0.34
GPR139 Q6DWJ6 1/20 0.33
THRB P10828 1/20 0.33
P2RX7 Q99572 1/20 0.33
PLA2G4A P47712 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
PIK3CD O00329 1/20 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
SCHEMBL5558854 0.93 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2PLA2G4ATP53
SCHEMBL5554969 0.92 PTGS2 (0.41) AKR1C3AKR1C2PTGS2GPR139TP53
SCHEMBL5559393 0.90 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2PLA2G4APTGS1
SCHEMBL5809764 0.89 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2GPR139THRB
SCHEMBL5561084 0.89 AKR1C3 (0.48) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5823495 0.88 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2P2RX7PLA2G4A
SCHEMBL5813876 0.88 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2P2RX7PLA2G4A
SCHEMBL5559502 0.87 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2THRBLMNA
SCHEMBL5814583 0.86 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2GPR139THRB
SCHEMBL5559656 0.85 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2GPR139LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
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 AKR1C3 585/4885AKR1C2 342/4885PTGS2 3/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PTGS2 4/4885

“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.