Sugi Predict

Sugi Predict / Compounds / SCHEMBL5766142

SCHEMBL5766142

SCHEMBL5766142

C[C@@H]1Cc2cc(N3C[C@H](C(=O)O)OC3=O)ccc2N1C(=O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 4/20 0.41
▸ NOD2 Q9HC29 4/20 0.41
▸ NOD1 Q9Y239 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL3043509 0.92 MAOA (0.44) TNFNOD2NOD1TP53GAA
SCHEMBL3038798 0.89 TNF (0.38) TNFNOD2NOD1TP53GAA
SCHEMBL5766006 0.85 SMN1; SMN2 (0.40) TP53GAANPC1RAB9AALDH1A1
SCHEMBL5765742 0.82 MAOA (0.36) TNFNOD2NOD1RAB9ALMNA
SCHEMBL6965187 0.81 MAOA (0.59) LMNAMAOAPTGS1MAOBCALML3
SCHEMBL6040246 0.81 MAOA (0.59) LMNAMAOAPTGS1MAOBCALML3
SCHEMBL6970806 0.81 MAOA (0.59) LMNAMAOAPTGS1MAOBCALML3
SCHEMBL3042601 0.80 TNF (0.38) TNFNOD2NOD1TP53GAA
SCHEMBL6968254 0.80 MAOB (0.52) TP53GAALMNAMAOAPTGS1
SCHEMBL6960931 0.80 MAOB (0.52) TP53GAALMNAMAOAPTGS1

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-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
EP-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 — — EP 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
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 — — 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-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

“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.