SCHEMBL114746

SCHEMBL114746

Cc1c(F)c(CO)c(CO)c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 2/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
STAT1 P42224 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
BRD4 O60885 1/20 0.36
NR4A2 P43354 2/20 0.36
TSHR P16473 1/20 0.36
EDNRA P25101 1/20 0.36
KMT2A Q03164 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A3 Q92570 1/20 0.35

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
SCHEMBL20370165 0.93 PTPN1 (0.42) PTPN1LMNAHPGDMAOBRAB9A
SCHEMBL114772 0.90 PTPN1 (0.40) PTPN1LMNAHPGDMAOBRAB9A
SCHEMBL9285946 0.88 PTPN1 (0.40) PTPN1LMNAHPGDMAOBSMN1; SMN2
SCHEMBL112843 0.87 PTPN1 (0.41) PTPN1LMNAHPGDMAOBRAB9A
SCHEMBL12108797 0.87 PTPN1 (0.43) PTPN1LMNAHPGDMAOBRAB9A
SCHEMBL18766735 0.86 PTPN1 (0.37) PTPN1LMNAHPGDMAOBRAB9A
SCHEMBL12108742 0.86 PTPN1 (0.42) PTPN1LMNAHPGDMAOBSMN1; SMN2
SCHEMBL20370139 0.85 PTPN1 (0.45) PTPN1LMNAHPGDMAOBRAB9A
SCHEMBL12108754 0.85 PTPN1 (0.40) PTPN1LMNAHPGDMAOBSMN1; SMN2
SCHEMBL12108834 0.85 PTPN1 (0.36) PTPN1LMNAHPGDMAOBBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-20170107179-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-04-20 US disclosed
US-20170107179-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-04-20 US disclosed
US-9371283-B2 Polycyclic tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
US-20160002183-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-01-07 US disclosed
US-20160002183-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-01-07 US disclosed
US-9073829-B2 Synthesis of tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-07 US disclosed
US-9073829-B2 Synthesis of tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-07 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

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-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TET1, TET3, TYMS PTPN1 2298/4885LMNA 1424/4885HPGD 1380/4885
US-20160002183-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TECR, TAOK1, TET1 PTPN1 1626/4885LMNA 1452/4885HPGD 1526/4885
US-20170107179-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB PTPN1 470/4885LMNA 2586/4885HPGD 3299/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB PTPN1 470/4885LMNA 2586/4885HPGD 3299/4885

“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.