SCHEMBL3045656

SCHEMBL3045656

CC(C)CN(C(=O)O)c1ccc(C2(O)CCSCC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
NR1H4 Q96RI1 1/20 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
SCHEMBL3035198 0.85 NR1H4 (0.31) RXRARXRBRXRGNR1H4
SCHEMBL6972965 0.83 RAB9A (0.39) RXRARXRBRXRG
SCHEMBL3038007 0.81 HTR1D (0.36)
SCHEMBL3039323 0.76 STAT3 (0.35) NR1H4
SCHEMBL3048212 0.71 STAT3 (0.32) NR1H4
SCHEMBL6177409 0.71 PDK1 (0.32) NR1H4
SCHEMBL6614861 0.69 SMN1; SMN2 (0.48)
SCHEMBL3035293 0.67 OPRM1 (0.41)
SCHEMBL8425426 0.67 NPC1 (0.50)
SCHEMBL3043489 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149089-B1 PROCESS TO PREPARE TETRAHYDROTHIOPYRAN-o-FLUORINATED CARBAMATES UPJOHN CO (US) 2003-03-26 EP claimed
EP-1149089-A2 PROCESS TO PREPARE CYCLIC-SULFUR FLUORINE CONTAINING OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2001-10-31 EP claimed
US-6239283-B1 BACTERICIDES; REACTING 4-ONE-TETRAHYDROTHIOPYRAN PHARMACIA & UPJOHN COMPANY 2001-05-29 US claimed
WO-2000044741-A2 PROCESS TO PREPARE CYCLIC-SULFUR FLUORINE CONTAINING OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2000-08-03 WO claimed
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-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US 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
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 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 (4 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 RXRA 3901/4885RXRB 3900/4885RXRG 4193/4885
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 RXRA 3901/4885RXRB 3900/4885RXRG 4193/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 RXRA 1164/4885RXRB 1109/4885RXRG 1374/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 RXRA 3901/4885RXRB 3900/4885RXRG 4193/4885

“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.