Sugi Predict

Sugi Predict / Compounds / SCHEMBL5559437

SCHEMBL5559437

SCHEMBL5559437

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ AKR1C3 P42330 2/20 0.35
▸ AKR1C2 P52895 2/20 0.35
▸ PLA2G7 Q13093 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ELANE P08246 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32

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
SCHEMBL5558674 0.91 POLB (0.35) AKR1C3AKR1C2SMN1; SMN2KDM4EMAPT
SCHEMBL5558841 0.89 AKR1C3 (0.36) LMNAAKR1C3AKR1C2PLA2G7SMN1; SMN2
SCHEMBL5560583 0.88 LMNA (0.35) LMNAAKR1C3AKR1C2PLA2G7SMN1; SMN2
SCHEMBL5561035 0.88 AKR1C3 (0.34) AKR1C3AKR1C2MEN1KMT2APTGS2
SCHEMBL6425551 0.86 AKR1C3 (0.35) AKR1C3AKR1C2TSHRCA1CA2
SCHEMBL5561537 0.86 AKR1C3 (0.34) AKR1C3AKR1C2CA1CA2PTGS1
SCHEMBL5559644 0.85 AKR1C3 (0.42) LMNAAKR1C3AKR1C2KDM4EMAPT
SCHEMBL5553873 0.84 AKR1C3 (0.40) LMNAAKR1C3AKR1C2PLA2G7ELANE
SCHEMBL5559120 0.84 LMNA (0.36) LMNAAKR1C3AKR1C2PLA2G7SMN1; SMN2
SCHEMBL6426717 0.82 AKR1C3 (0.40) LMNAAKR1C3AKR1C2PLA2G7SMN1; SMN2

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 LMNA 4397/4885AKR1C3 585/4885AKR1C2 342/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 LMNA 3613/4885AKR1C3 577/4885AKR1C2 563/4885

“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.