SCHEMBL18523719

SCHEMBL18523719

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
GAA P10253 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
THRB P10828 2/20 0.33
EDNRA P25101 1/20 0.33
THRA P10827 1/20 0.33
MEN1 O00255 2/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL9279685 0.90 PTPN1 (0.37) PTPN1GAAALDH1A1HPGDLMNA
SCHEMBL113290 0.87 PTPN1 (0.39) PTPN1HPGDLMNABRD4KMT2A
SCHEMBL9282794 0.86 PTPN1 (0.38) PTPN1HPGDLMNAMAPTBRD4
SCHEMBL18523716 0.86 GAA (0.35) PTPN1GAAALDH1A1HPGDLMNA
SCHEMBL18511746 0.85 PTPN1 (0.38) PTPN1GAAALDH1A1PKMHPGD
SCHEMBL18523335 0.85 PTPN1 (0.38) PTPN1GAAALDH1A1PKMHPGD
SCHEMBL9288735 0.84 PPARG (0.39) PPARGPPARAKDRLMNAKMT2A
SCHEMBL9279725 0.83 PTPN1 (0.36) PTPN1GAAALDH1A1PKMHPGD
SCHEMBL12109470 0.83 LMNA (0.38) PTPN1ALDH1A1PKMHPGDLMNA
SCHEMBL9284868 0.81 PTPN1 (0.43) PTPN1HPGDLMNAMAPTBRD4

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885GAA 733/4885PPARG 2568/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885GAA 733/4885PPARG 2568/4885

“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.