SCHEMBL1534047

SCHEMBL1534047

COc1cc(N)c(OCc2ccccc2)c(C(=O)Oc2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
BCHE P06276 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL11920787 0.90 PTPN1 (0.49) PTPN1HPGDLMNABCHENPC1
SCHEMBL11920808 0.90 PTPN1 (0.46) PTPN1HPGDLMNABCHENPC1
SCHEMBL1534080 0.87 RXRA (0.41) PTPN1HPGDLMNAMAOBKDM4E
SCHEMBL11908734 0.86 MEN1 (0.47) PTPN1HPGDLMNABCHESMN1; SMN2
SCHEMBL11923221 0.85 FAAH (0.41) LMNASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL113286 0.85 PTPN1 (0.42) PTPN1HPGDLMNASMN1; SMN2MAOB
SCHEMBL1534114 0.84 ERN1 (0.47) PTPN1HPGDLMNABCHESMN1; SMN2
SCHEMBL18743775 0.84 PTPN1 (0.41) PTPN1HPGDLMNABCHEHDAC8
SCHEMBL1534099 0.83 MEN1 (0.49) PTPN1HPGDLMNAKDM4EMEN1
SCHEMBL1534081 0.81 CTSV (0.48) PTPN1HPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
EP-2470500-A2 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
WO-2011025982-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-03-03 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 (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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C PTPN1 509/4885HPGD 2716/4885LMNA 3276/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 PTPN1 371/4885HPGD 2910/4885LMNA 3502/4885

“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.