SCHEMBL5559656

SCHEMBL5559656

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PTGS2 P35354 6/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
BCL2L1 Q07817 2/20 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
SCHEMBL5810455 0.93 AKR1C3 (0.40) AKR1C3AKR1C2GPR139PTGS2KMT2A
SCHEMBL5560407 0.92 AKR1C3 (0.42) AKR1C3AKR1C2MAPTGPR139LMNA
SCHEMBL5797781 0.90 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2ITGB3ITGA2B
SCHEMBL5559178 0.89 AKR1C3 (0.41) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL5812282 0.88 AKR1C3 (0.40) AKR1C3AKR1C2GPR139PTGS2ITGB3
SCHEMBL5561119 0.88 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2ITGB3ITGA2B
SCHEMBL5796969 0.88 AKR1C3 (0.49) AKR1C3AKR1C2KDM4EMAPTLMNA
SCHEMBL5554588 0.86 AKR1C3 (0.44) AKR1C3AKR1C2KDM4EALDH1A1MAPT
SCHEMBL5559502 0.85 AKR1C3 (0.44) AKR1C3AKR1C2MAPTPOLBLMNA
SCHEMBL5812334 0.85 AKR1C3 (0.40) AKR1C3AKR1C2MAPTGPR139LMNA

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.