SCHEMBL5562771

SCHEMBL5562771

Cc1c([C@H](C)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
APP P05067 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
TACR3 P29371 2/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
MAOB P27338 1/20 0.33
RORC P51449 1/20 0.33
PTGS1 P23219 1/20 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
SCHEMBL5550598 1.00 PTGS2 (0.38) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL5559956 1.00 PTGS2 (0.38) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL5554159 0.95 PSEN1 (0.38) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL5554154 0.95 PSEN1 (0.38) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL5560566 0.95 PSEN1 (0.38) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL5545922 0.93 PTGS2 (0.38) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5561181 0.93 PTGS2 (0.38) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5554213 0.93 PTGS2 (0.38) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5813878 0.92 TACR3 (0.34) PTGS2APPAKR1C3AKR1C2TACR3
SCHEMBL5813881 0.92 TACR3 (0.34) PTGS2APPAKR1C3AKR1C2TACR3

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 6 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-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
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 (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 3/4885PSEN1 4187/4885PSEN2 2801/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PSEN1 4672/4885PSEN2 3249/4885

“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.