SCHEMBL4600744

SCHEMBL4600744

C=CC(=O)Oc1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
ERN1 O75460 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR2 P25025 1/20 0.39
KCNMA1 Q12791 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 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
SCHEMBL27850556 0.84 TDP1 (0.49) GPR35MEN1KMT2AKCNMA1TDP1
SCHEMBL28478554 0.84 HSPB1 (0.43) GPR35ERN1MEN1KMT2ATDP1
SCHEMBL8070513 0.82 THRB (0.41) ERN1MEN1KMT2ATDP1KDM4E
SCHEMBL7551715 0.79 GPR35 (0.47) GPR35ERN1MEN1KMT2ACXCR2
SCHEMBL27799012 0.77 RAB9A (0.39) GPR35MEN1KMT2ATDP1RAB9A
SCHEMBL226893 0.76 ALDH1A1 (0.51) MEN1KMT2ATDP1RAB9APOLB
SCHEMBL258593 0.76 GPR35 (0.47) GPR35MEN1KMT2ACXCR2KCNMA1
SCHEMBL7548864 0.76 GPR35 (0.47) GPR35ERN1MEN1KMT2ATDP1
SCHEMBL4600843 0.75 RAB9A (0.50) MEN1KMT2ARAB9APOLBKDM4E
Hydrochloric Acid SCHEMBL27772559 0.75 ALDH1A1 (0.50) MEN1KMT2ATDP1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10016381-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2018-07-10 US disclosed
US-20170312239-A1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2017-11-02 US disclosed
US-9561202-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2017-02-07 US disclosed
US-20150265562-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2015-09-24 US disclosed
US-20150265563-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2015-09-24 US disclosed
US-9133099-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2015-09-15 US disclosed
US-20150045436-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field NOGRA PHARMA LIMITED (IE) 2015-02-12 US disclosed
EP-1910270-B1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD NOGRA PHARMA LTD (IE) 2013-05-08 EP disclosed
CN-101243039-B PPAR receptor and EGF receptor specific compounds and salts thereof and their use in the medical field GIULIANI INT LTD 2013-04-03 CN disclosed
CN-102020577-B Compounds and their salts specific to the ppar receptors and the egf receptors and their use in the medical field GIULIANI INT LTD 2013-03-13 CN disclosed
CN-102020577-A Compounds and their salts specific to the ppar receptors and the egf receptors and their use in the medical field GIULIANI INT LTD 2011-04-20 CN disclosed
CN-101243039-A PPAR receptor and EGF receptor specific compounds and salts thereof and their use in the medical field GIULIANI INT LTD (IE) 2008-08-13 CN disclosed
EP-1910270-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD Giuliani International Limited (IE) 2008-04-16 EP disclosed
WO-2007010516-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 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 (5 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-20170312239-A1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD EGFR, ERBB3, FGFR3 GPR35 189/4885ERN1 3296/4885MEN1 4017/4885
US-10016381-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field EGFR, ERBB3, FGFR3 GPR35 189/4885ERN1 3296/4885MEN1 4017/4885
US-20150265562-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 GPR35 189/4885ERN1 3296/4885MEN1 4017/4885
US-20150265563-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 GPR35 189/4885ERN1 3296/4885MEN1 4017/4885
US-20150045436-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 GPR35 188/4885ERN1 3196/4885MEN1 4108/4885

“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.