SCHEMBL2841191

SCHEMBL2841191

COc1cc(NC(=O)CC(=O)O)c(C(=O)O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.64
MAPT P10636 6/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 4/20 0.63
TP53 P04637 1/20 0.63
MAPK1 P28482 1/20 0.62
HPGD P15428 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RCE1 Q9Y256 1/20 0.58
GAA P10253 1/20 0.57
GFER P55789 1/20 0.57
CYP1A2 P05177 2/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
TSHR P16473 1/20 0.52
CYP3A4 P08684 1/20 0.51

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
SCHEMBL8541790 0.81 KDM4E (0.65) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7985600 0.80 KDM4E (0.63) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL10489881 0.78 KDM4E (0.65) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL4734776 0.78 ALDH1A1 (1.00) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8347879 0.77 KDM4E (0.68) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL23458950 0.76 KDM4E (0.67) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL17627513 0.76 KDM4E (0.58) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL14907131 0.75 KDM4E (0.81) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL12963701 0.74 KDM4E (0.60) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL28788861 0.74 KDM4E (0.56) KDM4EMAPTMEN1KMT2AALDH1A1

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-2799427-B1 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
EP-2799427-A1 Therapeutic compounds Fibrotech Therapeutics PTY LTD (AU) 2014-11-05 EP disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 US disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 US disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 US disclosed
EP-2035369-B1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-06-25 EP disclosed
EP-2035369-B1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-06-25 EP disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
EP-2035369-A1 THERAPEUTIC COMPOUNDS Fibrotech Therapeutics PTY LTD (AU) 2009-03-18 EP disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 WO disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 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-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 KDM4E 1605/4885MAPT 2890/4885MEN1 2604/4885
US-20100130497-A1 Therapeutic Compounds NFATC1, NAT1, AADAC KDM4E 1709/4885MAPT 3019/4885MEN1 2640/4885

“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.