Sugi Predict

Sugi Predict / Compounds / SCHEMBL5559486

SCHEMBL5559486

SCHEMBL5559486

CNC(=O)[C@@H](C)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
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PLA2G7 Q13093 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KCNK3 O14649 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
SCHEMBL5559481 1.00 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EMAPTHPGDHTT
SCHEMBL5560440 0.90 POLB (0.37) KDM4EKCNH2ALDH1A1CHRNB2SLC6A2
SCHEMBL5560445 0.90 POLB (0.37) KDM4EKCNH2ALDH1A1CHRNB2SLC6A2
SCHEMBL5553952 0.89 KDM4E (0.37) SMN1; SMN2KDM4EMAPTHPGDHTT
SCHEMBL5553954 0.89 KDM4E (0.37) SMN1; SMN2KDM4EMAPTHPGDHTT
SCHEMBL5554693 0.89 AKR1C3 (0.40) SMN1; SMN2KDM4EMAPTHPGDHTT
SCHEMBL5547108 0.89 AKR1C3 (0.40) SMN1; SMN2KDM4EMAPTHPGDHTT
SCHEMBL5557670 0.89 AKR1C3 (0.40) SMN1; SMN2KDM4EMAPTHPGDHTT
SCHEMBL5553766 0.88 PIK3CD (0.38) SMN1; SMN2KDM4EMAPTHPGDHTT
SCHEMBL5553770 0.88 PIK3CD (0.38) SMN1; SMN2KDM4EMAPTHPGDHTT

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 SMN1; SMN2 3234/4885KDM4E 1786/4885MAPT 4214/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 SMN1; SMN2 4408/4885KDM4E 2209/4885MAPT 4401/4885

“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.