SCHEMBL114286

SCHEMBL114286

Cc1c(F)cc([N+](=O)[O-])c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.42
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
ALOX5 P09917 1/20 0.40
PTPN1 P18031 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
BACE1 P56817 1/20 0.38
CYP19A1 P11511 2/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL6128434 0.86 CYP1A2 (0.40) KMT2AMAPTALOX5LMNA
SCHEMBL1534099 0.86 MEN1 (0.49) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6125199 0.85 PTPN1 (0.47) MEN1KMT2APTPN1LMNAHPGD
SCHEMBL9279822 0.85 PTPN1 (0.44) MEN1KMT2APTPN1LMNAHPGD
SCHEMBL1534206 0.85 MEN1 (0.42) PTGESMEN1KMT2AMAPTCTSV
SCHEMBL18373058 0.83 ALOX5 (0.48) MEN1KMT2AMAPTALOX5LMNA
SCHEMBL113286 0.82 PTPN1 (0.42) MEN1KMT2AMAPTPTPN1LMNA
SCHEMBL114105 0.82 THRA (0.46) MAPTPTPN1LMNAHPGD
SCHEMBL9283029 0.82 KDM4E (0.46) MAPTPTPN1LMNAHPGD
SCHEMBL113312 0.81 ALOX5 (0.46) MEN1KMT2AMAPTALOX5LMNA

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
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
CN-115448849-B Preparation method of 2-benzyloxy-3-dibenzylamino-5-fluoro-6-methylbenzoic acid phenyl ester 苏州富士莱医药股份有限公司 2023-02-03 CN disclosed
CN-115448849-A Preparation method of 2-benzyloxy-3-dibenzylamino-5-fluoro-6-methyl benzoate 苏州富士莱医药股份有限公司 2022-12-09 CN disclosed
US-20210122709-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2021-04-29 US disclosed
US-20200055813-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2020-02-20 US disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20190002398-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-01-03 US disclosed
EP-2424834-B1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THEREOF HARVARD COLLEGE (US) 2018-07-11 EP disclosed
EP-2424834-B1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THEREOF HARVARD COLLEGE (US) 2018-07-11 EP disclosed
US-20170275244-A1 C7-Fluoro Substituted Tetracycline Compounds TETRAPHASE PHARMACEUTICALS INC (US) 2017-09-28 US disclosed
US-8501716-B2 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-20130109657-A1 C7-Fluoro Substituted Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-05-02 US disclosed
US-20120302527-A1 C7-Fluoro Substituted Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
EP-2424834-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO President and Fellows of Harvard College (US) 2012-03-07 EP disclosed
US-20110269714-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-11-03 US disclosed
WO-2010126607-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-11-04 WO disclosed
US-20100105671-A1 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. 2010-04-29 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 (12 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-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TET1, TET3, TYMS PTGES 242/4885MEN1 1602/4885KMT2A 2160/4885
US-20200055813-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A PTGES 4057/4885MEN1 2309/4885KMT2A 2014/4885
US-20100105671-A1 C7-fluoro substituted tetracycline compounds F7, TUBA1C, TUBA4A PTGES 4057/4885MEN1 2309/4885KMT2A 2014/4885
US-20120302527-A1 C7-Fluoro Substituted Tetracycline Compounds F7, TUBA1C, TUBA4A PTGES 4057/4885MEN1 2309/4885KMT2A 2014/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB PTGES 2190/4885MEN1 1746/4885KMT2A 1697/4885
US-20190002398-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A PTGES 4057/4885MEN1 2309/4885KMT2A 2014/4885
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A PTGES 4057/4885MEN1 2309/4885KMT2A 2014/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A PTGES 1415/4885MEN1 2745/4885KMT2A 2833/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTGES 1415/4885MEN1 2745/4885KMT2A 2833/4885
US-20170275244-A1 C7-Fluoro Substituted Tetracycline Compounds F7, TUBA1C, TUBA4A PTGES 4057/4885MEN1 2309/4885KMT2A 2014/4885
US-20130109657-A1 C7-Fluoro Substituted Tetracycline Compounds F7, TUBA1C, TUBA4A PTGES 4057/4885MEN1 2309/4885KMT2A 2014/4885
US-20210122709-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A PTGES 4057/4885MEN1 2309/4885KMT2A 2014/4885

“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.