SCHEMBL5281444

SCHEMBL5281444

CN1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL2615701 1.00 IDH1 (0.43) IDH1ALDH1A1ATMCHRNB2CHRNB4
SCHEMBL5286742 1.00 IDH1 (0.43) IDH1ALDH1A1ATMCHRNB2CHRNB4
SCHEMBL3652984 0.82 CHRNA7 (0.43) ALDH1A1CHRNA7
SCHEMBL6903965 0.82 CYP19A1 (0.39)
SCHEMBL3652982 0.82 CHRNA7 (0.43) ALDH1A1CHRNA7
SCHEMBL3654550 0.82 CHRNA7 (0.43) ALDH1A1CHRNA7
SCHEMBL16181385 0.80 CYP19A1 (0.45) ALDH1A1
SCHEMBL2235912 0.80 DDB1 (0.38)
SCHEMBL2235902 0.80 DDB1 (0.38)
SCHEMBL6904113 0.80 KDM4E (0.58) IDH1ALDH1A1CHRNB2CHRNB4CHRNA3

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
EP-0859766-B1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AG (DE) 2001-05-16 EP claimed
US-6025376-A INHIBITORS OF TUMOR NECROSIS FACTOR, TREATING MULTIPLE SCLEROSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US claimed
WO-2018032356-A1 PROCESS FOR PREPARATION OF LACTONE DERIVATIVES AND INTERMEDIATES THEREOF PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2018-02-22 WO disclosed
US-20170204065-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF ALCON INC. (CH) 2017-07-20 US disclosed
US-20170137384-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF ALCON INC. (CH) 2017-05-18 US disclosed
US-9643927-B1 Process for the preparation of kinase inhibitors and intermediates thereof AERIE PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-8703963-B2 Derivative N-thiolated 2-oxazolidinone antibiotics UNIVERSITY OF SOUTH FLORIDA (US) 2014-04-22 US disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 US disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 US disclosed
US-20120149911-A1 DERIVATIVE N-THIOLATED 2-OXAZOLIDINONE ANTIBIOTICS UNIVERSITY OF SOUTH FLORIDA (US) 2012-06-14 US disclosed
WO-1997015561-A1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed
US-5461162-A Reacting an (oxa- or thia)zolidone or a sultam with an anhydride in the presence of a lithium salt and an amine MERCK & CO., INC. (US) 1995-10-24 US disclosed
US-5449778-A Peptide intermediates WARNER-LAMBERT COMPANY (US) 1995-09-12 US disclosed
EP-0637305-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1995-02-08 EP disclosed
US-5380925-A Cyclic amino acids and derivatives thereof WARNER-LAMBERT COMPANY (US) 1995-01-10 US disclosed
US-5264577-A Cyclic amino acids and derivatives thereof WARNER-LAMBERT COMPANY (US) 1993-11-23 US disclosed
WO-1993021176-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1993-10-28 WO disclosed
CN-1076200-A NEW DERIVATIVES OF BETA-AMINO ACIDS SANDOZ LTD (CH) 1993-09-15 CN 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-20170137384-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF MAP3K1, MAP3K6, MAP3K7 IDH1 440/4885ALDH1A1 2948/4885ATM 375/4885
US-20120149911-A1 DERIVATIVE N-THIOLATED 2-OXAZOLIDINONE ANTIBIOTICS TST, NRDC, NUCB2 IDH1 1637/4885ALDH1A1 1090/4885ATM 2954/4885
US-20170204065-A1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF MAP3K1, MAP3K6, MAP3K7 IDH1 440/4885ALDH1A1 2948/4885ATM 375/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 IDH1 4439/4885ALDH1A1 2972/4885ATM 4711/4885

“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.