SCHEMBL14745689

SCHEMBL14745689

COc1ccc(Cn2c3c(cc(C(=O)O)c2=O)CCCc2cc4c(cc2-3)cc(CO)n4C)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.36
PPARG P37231 1/20 0.36
EDNRB P24530 1/20 0.36
KMT2A Q03164 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MEN1 O00255 1/20 0.35
AADAT Q8N5Z0 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL14745679 0.93 GABRG2 (0.37) SMN1; SMN2TSHRALDH1A1TAS1R3TAS1R1
SCHEMBL14746069 0.88 TSHR (0.38) SMN1; SMN2TSHRALDH1A1PPARGEDNRB
SCHEMBL16429014 0.86 EDNRB (0.39) SMN1; SMN2TSHRALDH1A1EDNRBKMT2A
SCHEMBL14746160 0.84 EDNRB (0.39) SMN1; SMN2TSHRALDH1A1EDNRBKMT2A
SCHEMBL14746196 0.83 EDNRB (0.40) SMN1; SMN2TSHRALDH1A1EDNRBKMT2A
SCHEMBL14746181 0.82 EGLN1 (0.37) SMN1; SMN2TSHRALDH1A1EDNRBNPC1
SCHEMBL14746068 0.81 AADAT (0.33) TSHRALDH1A1AADATKDM4ENPC1
SCHEMBL14745710 0.81 EGLN1 (0.37) SMN1; SMN2TSHRALDH1A1EDNRBKMT2A
SCHEMBL14745779 0.80 EDNRB (0.40) SMN1; SMN2TSHRALDH1A1EDNRBKMT2A
SCHEMBL14745374 0.79 TSHR (0.39) SMN1; SMN2TSHRALDH1A1EDNRBKMT2A

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 SMN1; SMN2 4224/4885TSHR 4837/4885ALDH1A1 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.