Sugi Predict

Sugi Predict / Compounds / SCHEMBL5554553

SCHEMBL5554553

SCHEMBL5554553

CCC(C)(NC(=O)[C@H](C)c1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)c(F)c12)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.37
▸ AKR1C2 P52895 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ELANE P08246 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP3A4 P08684 3/20 0.31
▸ CYP2D6 P10635 3/20 0.31
▸ ANO1 Q5XXA6 1/20 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
SCHEMBL5553669 0.92 ANO1 (0.34) AKR1C3AKR1C2SMN1; SMN2MAPTLMNA
SCHEMBL5560756 0.91 AKR1C3 (0.37) AKR1C3AKR1C2SMN1; SMN2HTTKDM4E
SCHEMBL5560759 0.91 AKR1C3 (0.37) AKR1C3AKR1C2SMN1; SMN2HTTKDM4E
SCHEMBL5554596 0.89 AKR1C3 (0.35) AKR1C3AKR1C2SMN1; SMN2HTTLMNA
SCHEMBL5559516 0.89 CHRNA1 (0.33) AKR1C3AKR1C2
SCHEMBL5554738 0.87 ABCB11 (0.33) AKR1C3AKR1C2HPGD
SCHEMBL5561362 0.87 AKR1C3 (0.32) AKR1C3AKR1C2
SCHEMBL5559440 0.86 AKR1C3 (0.39) AKR1C3AKR1C2KDM4EMAPTNPSR1
SCHEMBL5560256 0.86 AKR1C3 (0.42) AKR1C3AKR1C2SMN1; SMN2HTTKDM4E
SCHEMBL5558383 0.85 AKR1C3 (0.38) AKR1C3AKR1C2SMN1; SMN2HTTKDM4E

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 342/4885SMN1; SMN2 3234/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885SMN1; SMN2 4408/4885

“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.