SCHEMBL114105

SCHEMBL114105

Cc1c(F)cc(Br)c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.46
THRB P10828 5/20 0.46
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.40
DHODH Q02127 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NR4A2 P43354 1/20 0.39
SMPD1 P17405 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
SCHEMBL6125199 0.89 PTPN1 (0.47) PTPN1HPGDLMNAMAOBFFAR4
SCHEMBL9279822 0.89 PTPN1 (0.44) PTPN1HPGDLMNAMAOBFFAR4
SCHEMBL113286 0.86 PTPN1 (0.42) PTPN1SMN1; SMN2HPGDLMNAMAOB
SCHEMBL9283029 0.86 KDM4E (0.46) THRATHRBPTPN1HPGDLMNA
SCHEMBL11908734 0.85 MEN1 (0.47) THRATHRBPTPN1SMN1; SMN2HPGD
SCHEMBL6128425 0.85 THRB (0.44) THRATHRBLMNAMAPT
SCHEMBL19035748 0.84 LMNA (0.43) PTPN1SMN1; SMN2HPGDLMNAMAOB
SCHEMBL113438 0.82 TSPO (0.41) PTPN1HPGDLMNAMAOBFFAR4
SCHEMBL114286 0.82 PTGES (0.45) PTPN1HPGDLMNAMAPT
SCHEMBL14125036 0.81 PTGER4 (0.39) PTPN1HPGDLMNAMAOBFFAR4

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 41 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
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
EP-3461809-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2019-04-03 EP 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-20170305852-A1 Tetracyline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-10-26 US disclosed
EP-3000805-B1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-18 EP 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 THRA 637/4885THRB 1009/4885PTPN1 2298/4885
US-20200055813-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A THRA 753/4885THRB 1229/4885PTPN1 654/4885
US-20170305852-A1 Tetracyline Compounds SLC10A1, CYP3A7, TAAR5 THRA 831/4885THRB 569/4885PTPN1 824/4885
US-20100105671-A1 C7-fluoro substituted tetracycline compounds F7, TUBA1C, TUBA4A THRA 753/4885THRB 1229/4885PTPN1 654/4885
US-20120302527-A1 C7-Fluoro Substituted Tetracycline Compounds F7, TUBA1C, TUBA4A THRA 753/4885THRB 1229/4885PTPN1 654/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB THRA 791/4885THRB 1053/4885PTPN1 470/4885
US-20190002398-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A THRA 753/4885THRB 1229/4885PTPN1 654/4885
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A THRA 753/4885THRB 1229/4885PTPN1 654/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A THRA 256/4885THRB 395/4885PTPN1 402/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A THRA 256/4885THRB 395/4885PTPN1 402/4885
US-20130109657-A1 C7-Fluoro Substituted Tetracycline Compounds F7, TUBA1C, TUBA4A THRA 753/4885THRB 1229/4885PTPN1 654/4885
US-20210122709-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A THRA 753/4885THRB 1229/4885PTPN1 654/4885

“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.