Sugi Predict

Sugi Predict / Compounds / SCHEMBL3042601

SCHEMBL3042601

SCHEMBL3042601

COC(=O)[C@H]1CN(c2ccc3c(c2)C[C@@H](C)N3C(=O)O)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 7/20 0.38
▸ NOD2 Q9HC29 7/20 0.38
▸ NOD1 Q9Y239 6/20 0.38
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CALML3 P27482 1/20 0.36
▸ SDHA P31040 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PKLR P30613 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ GRM2 Q14416 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
SCHEMBL3038798 0.90 TNF (0.38) TNFNOD2NOD1MAOAMAOB
SCHEMBL3029320 0.84 MAOB (0.36) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3039182 0.84 SMN1; SMN2 (0.39) LMNARAB9ATP53GAA
SCHEMBL6968254 0.81 MAOB (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6960931 0.81 MAOB (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6972540 0.80 F10 (0.44) TNFNOD2NOD1MAOAMAOB
SCHEMBL5766142 0.80 TNF (0.41) TNFNOD2NOD1MAOAMAOB
SCHEMBL6972140 0.79 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3043509 0.78 MAOA (0.44) TNFNOD2NOD1MAOAMAOB
SCHEMBL5998091 0.78 F10 (0.41) MAOAMAOBLMNAPTGS1CALML3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 — — US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 — — US disclosed
US-7141588-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER, INC. (US) 2006-11-28 — — US disclosed
EP-1478629-B1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN CO LLC (US) 2006-10-11 — — EP disclosed
US-6919329-B2 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-07-19 — — US disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 — — US disclosed
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-03-04 — — US 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 (3 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-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 TNF 4331/4885NOD2 155/4885NOD1 290/4885
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 TNF 4331/4885NOD2 155/4885NOD1 290/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 TNF 4331/4885NOD2 155/4885NOD1 290/4885

“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.