SCHEMBL113290

SCHEMBL113290

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
AR P10275 4/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
BRD4 O60885 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PTGER1 P34995 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 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
SCHEMBL9282794 0.91 PTPN1 (0.38) PTPN1LMNAHPGDNPC1RAB9A
SCHEMBL18523741 0.90 PTPN1 (0.46) PTPN1ARLMNAHPGDNPC1
SCHEMBL18511746 0.90 PTPN1 (0.38) PTPN1LMNAHPGDSMN1; SMN2BRD4
SCHEMBL18523335 0.90 PTPN1 (0.38) PTPN1LMNAHPGDSMN1; SMN2BRD4
SCHEMBL18523541 0.89 PTPN1 (0.39) PTPN1ARLMNAHPGDNPC1
SCHEMBL9279685 0.89 PTPN1 (0.37) PTPN1LMNAHPGDNPC1RAB9A
SCHEMBL18524982 0.88 PTPN1 (0.41) PTPN1ARLMNAHPGDNPC1
SCHEMBL9279725 0.88 PTPN1 (0.36) PTPN1LMNAHPGDBRD4MAOB
SCHEMBL12109470 0.88 LMNA (0.38) PTPN1LMNAHPGDBRD4MAOB
SCHEMBL18525331 0.87 PTPN1 (0.39) PTPN1ARLMNAHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 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-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
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 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-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
EP-2424834-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO President and Fellows of Harvard College (US) 2012-03-07 EP 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 (6 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 2298/4885AR 1159/4885LMNA 1424/4885
US-20160002183-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TECR, TAOK1, TET1 PTPN1 1626/4885AR 1341/4885LMNA 1452/4885
US-20170107179-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB PTPN1 470/4885AR 3253/4885LMNA 2586/4885
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885AR 3216/4885LMNA 3089/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A PTPN1 402/4885AR 3216/4885LMNA 3089/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885AR 3216/4885LMNA 3089/4885

“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.