SCHEMBL13856499

SCHEMBL13856499

CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2C1c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.67
NR1H4 Q96RI1 1/20 0.62
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
PTPN22 Q9Y2R2 3/20 0.60
TNF P01375 1/20 0.60
IL6 P05231 1/20 0.60
BCL2 P10415 1/20 0.58
BCL2L1 Q07817 1/20 0.58
MCL1 Q07820 1/20 0.58
POLB P06746 5/20 0.57
NPSR1 Q6W5P4 4/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
USP2 O75604 2/20 0.57
PKM P14618 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
BLM P54132 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57

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
SCHEMBL13856501 0.96 PTGES (0.68) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL12325724 0.93 PTGES (0.59) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL13856128 0.93 PTGES (0.66) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL13856510 0.92 NPSR1 (0.64) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL13856592 0.91 PTPN22 (0.61) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL13856554 0.91 MEN1 (0.66) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL12325710 0.89 PTGES (0.68) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL13856656 0.89 PTGES (0.67) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL13856650 0.89 MEN1 (0.64) PTGESNR1H4MEN1KMT2APTPN22
SCHEMBL13856447 0.88 PTPN22 (0.68) PTGESNR1H4MEN1KMT2APTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 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 (1 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB PTGES 680/4885NR1H4 3470/4885MEN1 4225/4885

“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.