Sugi Predict

Sugi Predict / Compounds / SCHEMBL5559178

SCHEMBL5559178

SCHEMBL5559178

Cc1c(CCC(=O)N[C@@H](C)CC(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.41
▸ AKR1C2 P52895 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ GPR139 Q6DWJ6 1/20 0.36
▸ MME P08473 1/20 0.34
▸ MMEL1 Q495T6 1/20 0.34
▸ BCL2L1 Q07817 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL6426398 0.92 AKR1C3 (0.41) AKR1C3AKR1C2GPR139BCL2L1MEN1
SCHEMBL5560460 0.91 AKR1C3 (0.44) AKR1C3AKR1C2GPR139BCL2L1TSHR
SCHEMBL5559656 0.89 AKR1C3 (0.40) AKR1C3AKR1C2KDM4EMAPTHPGD
SCHEMBL5559358 0.89 AKR1C3 (0.41) AKR1C3AKR1C2BCL2L1PTGS2ITGB3
SCHEMBL5801040 0.88 AKR1C3 (0.41) AKR1C3AKR1C2GPR139BCL2L1TSHR
SCHEMBL5554162 0.87 AKR1C3 (0.42) AKR1C3AKR1C2BCL2L1PTGS2ITGB3
SCHEMBL5563853 0.87 AKR1C3 (0.41) AKR1C3AKR1C2BCL2L1PTGS2ITGB3
SCHEMBL6423910 0.86 AKR1C3 (0.50) AKR1C3AKR1C2KDM4EMAPTBCL2L1
SCHEMBL5560576 0.85 AKR1C3 (0.49) AKR1C3AKR1C2BCL2L1TSHRNPSR1
SCHEMBL5808235 0.85 AKR1C3 (0.44) AKR1C3AKR1C2KDM4EMAPTHPGD

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 342/4885KDM4E 1786/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885KDM4E 2209/4885

“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.