SCHEMBL14745374

SCHEMBL14745374

COc1ccc(Cn2c3c(cc(C(=O)O)c2=O)CCCc2cc(N(C)C)ccc2-3)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
EDNRB P24530 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
TLR9 Q9NR96 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14745818 0.98 KMT2A (0.39) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL14745792 0.92 GABRG2 (0.44) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL14745682 0.90 GABRG2 (0.44) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL14745886 0.85 EDNRB (0.41) TSHRALDH1A1KMT2AMEN1EDNRB
SCHEMBL14745574 0.83 EDNRB (0.41) TSHRALDH1A1KMT2AMEN1EDNRB
SCHEMBL14745744 0.81 EGLN1 (0.39) TSHRALDH1A1LMNAEDNRBSMN1; SMN2
SCHEMBL14745965 0.79 EGLN1 (0.39) TSHRALDH1A1KMT2AMEN1EDNRB
SCHEMBL14745689 0.79 SMN1; SMN2 (0.37) TSHRALDH1A1KMT2AMEN1EDNRB
SCHEMBL14746069 0.78 TSHR (0.38) TSHRALDH1A1KMT2AMEN1EDNRB
SCHEMBL14745633 0.76 MEN1 (0.40) TSHRALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP TSHR 4837/4885ALDH1A1 3792/4885KMT2A 4450/4885

“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.