Sugi Predict

Sugi Predict / Compounds / SCHEMBL5560233

SCHEMBL5560233

SCHEMBL5560233

Cc1c([C@@H](C)C(=O)NC(C)(C)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CHRND Q07001 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL5560234 1.00 SLC6A2 (0.34) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL5561252 0.92 AKR1C3 (0.35) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5561259 0.92 AKR1C3 (0.35) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5554225 0.91 KMT2A (0.33) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL6423451 0.90 CHRNA1 (0.34) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL6423456 0.90 CHRNA1 (0.34) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5560984 0.90 AKR1C3 (0.38) AKR1C3AKR1C2ERAP1
SCHEMBL5560987 0.90 AKR1C3 (0.38) AKR1C3AKR1C2ERAP1
SCHEMBL5560356 0.90 SLC6A2 (0.34) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL5560353 0.90 SLC6A2 (0.34) SLC6A2CHRNA1CHRNGITGA5CHRNB1

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 SLC6A2 1500/4885CHRNA1 3363/4885CHRNG 3353/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 SLC6A2 1779/4885CHRNA1 4371/4885CHRNG 4268/4885

“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.