Sugi Predict

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SCHEMBL5558652

SCHEMBL5558652

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.37
▸ AKR1C2 P52895 3/20 0.37
▸ EGLN1 Q9GZT9 2/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL5558663 1.00 AKR1C3 (0.37) AKR1C3AKR1C2EGLN1GPR139CTSL
SCHEMBL5558658 1.00 AKR1C3 (0.37) AKR1C3AKR1C2EGLN1GPR139CTSL
SCHEMBL5560788 0.93 LMNA (0.34) AKR1C3AKR1C2GPR139CTSLLMNA
SCHEMBL5560792 0.93 LMNA (0.34) AKR1C3AKR1C2GPR139CTSLLMNA
SCHEMBL5560610 0.92 TRPV1 (0.36) AKR1C3AKR1C2EGLN1GPR139HIF1A
SCHEMBL5560619 0.92 TRPV1 (0.36) AKR1C3AKR1C2EGLN1GPR139HIF1A
SCHEMBL5560614 0.92 TRPV1 (0.36) AKR1C3AKR1C2EGLN1GPR139HIF1A
SCHEMBL5559505 0.91 AKR1C3 (0.36) AKR1C3AKR1C2GPR139CTSLLMNA
SCHEMBL5559500 0.91 AKR1C3 (0.36) AKR1C3AKR1C2GPR139CTSLLMNA
SCHEMBL5561263 0.90 AKR1C3 (0.34) AKR1C3AKR1C2GPR139CTSLLMNA

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 AKR1C3 585/4885AKR1C2 342/4885EGLN1 164/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885EGLN1 295/4885

“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.