SCHEMBL3680910

SCHEMBL3680910

CCOC(=O)C=Cc1ccc(-n2ccnc2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.49
DPP4 P27487 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAOB P27338 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.44
FDPS P14324 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL8345349 0.81 KDM4E (0.66) TTRDPP4KDM4EMEN1MITF
SCHEMBL11474550 0.81 KDM4E (0.66) TTRDPP4KDM4EMEN1MITF
SCHEMBL3683531 0.81 CCNC (0.57) TTRDPP4KDM4EMEN1MITF
SCHEMBL3683530 0.81 CCNC (0.57) TTRDPP4KDM4EMEN1MITF
SCHEMBL10640264 0.81 TTR (0.47) TTRDPP4MEN1ALDH1A1KMT2A
SCHEMBL10640268 0.81 TTR (0.47) TTRDPP4MEN1ALDH1A1KMT2A
SCHEMBL9515291 0.76 TTR (0.66) TTRDPP4CA12CA1CA2
SCHEMBL10640485 0.76 TTR (0.66) TTRDPP4CA12CA1CA2
SCHEMBL10640496 0.76 TTR (0.66) TTRDPP4CA12CA1CA2
SCHEMBL3680916 0.76 ALDH1A1 (0.42) TTRDPP4KDM4EMEN1MITF

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
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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 (3 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TTR 3315/4885DPP4 2623/4885KDM4E 1472/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TTR 3315/4885DPP4 2623/4885KDM4E 1472/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TTR 3315/4885DPP4 2623/4885KDM4E 1472/4885

“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.