SCHEMBL1035579

SCHEMBL1035579

O=C1O[C@@H](CO)CN1c1ccc(I)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.65
MAOA P21397 6/20 0.57
MAOB P27338 6/20 0.57
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP3A4 P08684 2/20 0.49
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47
CYP2D6 P10635 1/20 0.45

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
SCHEMBL1557322 1.00 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL2898382 0.87 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL2898383 0.87 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1394138 0.87 F10 (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL1036374 0.87 F10 (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL10196158 0.87 CALML3 (0.50) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5917588 0.87 F10 (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL3323285 0.86 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323279 0.86 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323276 0.86 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442526-B1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP (US) 2023-01-04 EP disclosed
US-20210121449-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2021-04-29 US disclosed
EP-3372596-B1 PREPARATION METHOD FOR TEDIZOLID, TEDIZOLID INTERMEDIATE, AND PREPARATION METHOD THEREFOR ZHEJIANG HUAHAI PHARM CO LTD (CN) 2020-07-22 EP disclosed
US-20200078345-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2020-03-12 US disclosed
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 US disclosed
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 US disclosed
US-10385079-B2 Preparation method for tedizolid, tedizolid intermediate, and preparation method therefor ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD (CN) 2019-08-20 US disclosed
US-20180344716-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2018-12-06 US disclosed
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP. 2017-11-23 US disclosed
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP. 2017-11-23 US disclosed
EP-1427711-A1 OXAZOLIDINONE AND/OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2004-06-16 EP disclosed
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-03-04 US disclosed
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP 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
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. 2003-07-03 US disclosed
WO-2003035648-A1 ARYL SUBSTITUTED OXAZOLIDINONES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2003-05-01 WO disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 WO disclosed
WO-2003022824-A1 OXAZOLIDINONE AND/OR ISOXAZOLINE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-03-20 WO disclosed
WO-2003006440-A2 AMIDE-CONTAINING COMPOUND HAVING IMPROVED SOLUBILITY AND METHOD OF IMPROVING THE SOLUBILITY OF AN AMIDE-CONTAINING COMPOUND PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 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 (9 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-10385079-B2 Preparation method for tedizolid, tedizolid intermediate, and preparation method therefor CYP51A1, CYP2F1, CYP4F11 CALML3 4289/4885MAOA 1342/4885MAOB 692/4885
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof NR4A1, NR0B1, NR1D1 CALML3 3757/4885MAOA 3466/4885MAOB 3207/4885
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 CALML3 3149/4885MAOA 957/4885MAOB 976/4885
US-20210121449-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI CALML3 3337/4885MAOA 2505/4885MAOB 1905/4885
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CUTA, CYP19A1, KAT2A CALML3 2223/4885MAOA 379/4885MAOB 219/4885
US-20200078345-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI CALML3 3337/4885MAOA 2505/4885MAOB 1905/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 CALML3 3583/4885MAOA 1179/4885MAOB 732/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 CALML3 4401/4885MAOA 1569/4885MAOB 1093/4885
US-20180344716-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI CALML3 3337/4885MAOA 2505/4885MAOB 1905/4885

“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.