Sugi Predict

Sugi Predict / Compounds / SCHEMBL5560366

SCHEMBL5560366

SCHEMBL5560366

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34

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
SCHEMBL5551752 1.00 PTGS2 (0.39) PTGS2ALDH1A1L3MBTL1NOTUMPOLB
SCHEMBL5559382 1.00 PTGS2 (0.39) PTGS2ALDH1A1L3MBTL1NOTUMPOLB
SCHEMBL5553756 0.91 ALDH1A1 (0.36) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL5553759 0.91 ALDH1A1 (0.36) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL5559033 0.91 AKR1C3 (0.37) PTGS2ALDH1A1NOTUMKMT2ALMNA
SCHEMBL5559038 0.91 AKR1C3 (0.37) PTGS2ALDH1A1NOTUMKMT2ALMNA
SCHEMBL5560459 0.91 AKR1C3 (0.37) PTGS2ALDH1A1NOTUMKMT2ALMNA
SCHEMBL6423752 0.90 ALDH1A1 (0.36) PTGS2ALDH1A1L3MBTL1NOTUMPOLB
SCHEMBL5560454 0.89 ALDH1A1 (0.35) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL5560450 0.89 ALDH1A1 (0.35) ALDH1A1L3MBTL1POLBMEN1KMT2A

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 3/4885ALDH1A1 278/4885L3MBTL1 4558/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885ALDH1A1 630/4885L3MBTL1 4595/4885

“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.