SCHEMBL16440947

SCHEMBL16440947

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ENPP2 Q13822 1/20 0.39
PSMB8 P28062 1/20 0.39
PARP1 P09874 1/20 0.39
MET P08581 1/20 0.39
GLO1 Q04760 1/20 0.39
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
HDAC2 Q92769 1/20 0.38
METAP2 P50579 1/20 0.38
AR P10275 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37

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
SCHEMBL14745527 0.80 CDK8 (0.47) GLO1
SCHEMBL14745486 0.78 PTGS2 (0.42) PTGS2NPC1GAAENPP2PARP1
SCHEMBL14741107 0.78 KDM4E (0.41) KDM4EALDH1A1POLBGAA
SCHEMBL14741218 0.78 KDM4E (0.45) KDM4EALDH1A1GAA
SCHEMBL14741008 0.77 PDE3B (0.52) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL14740909 0.77 CDC7 (0.41) KDM4EALDH1A1POLBGAACTNNB1
SCHEMBL14740945 0.77 KMO (0.43) KDM4EGAACTNNB1WNT3AAR
SCHEMBL14740827 0.77 MAPK14 (0.46) NPC1KDM4EGAA
SCHEMBL14741114 0.77 SERPINE1 (0.42) KDM4EGAAPARP1MAPT
SCHEMBL14741142 0.77 PDE3B (0.41) KDM4EALDH1A1POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP PTGS2 1727/4885NPC1 1233/4885KDM4E 4305/4885

“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.