SCHEMBL14745633

SCHEMBL14745633

COc1ccc(Cn2c3c(cc(C(=O)O)c2=O)CCOc2cc(Cl)ccc2-3)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
EDNRB P24530 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ROCK2 O75116 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CMA1 P23946 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL14745433 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL14741316 0.79 EGLN1 (0.39) MEN1KMT2AALDH1A1TSHREDNRB
SCHEMBL14745818 0.76 KMT2A (0.39) MEN1KMT2AALDH1A1TSHREDNRB
SCHEMBL14745374 0.76 TSHR (0.39) MEN1KMT2AALDH1A1TSHREDNRB
SCHEMBL14745689 0.71 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1TSHREDNRB
SCHEMBL14746069 0.70 TSHR (0.38) MEN1KMT2AALDH1A1TSHREDNRB
SCHEMBL14745682 0.68 GABRG2 (0.44) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL14745792 0.68 GABRG2 (0.44) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL17495073 0.68 EGLN1 (0.38) MEN1KMT2AALDH1A1EDNRBKDM4E
SCHEMBL30032753 0.68 MEN1 (0.45) MEN1KMT2AALDH1A1EDNRBKDM4E

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 MEN1 4630/4885KMT2A 4450/4885ALDH1A1 3792/4885

“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.