SCHEMBL1640016

SCHEMBL1640016

COc1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 7/20 0.41
CYP24A1 Q07973 1/20 0.41
NSD2 O96028 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
HPGD P15428 4/20 0.40
ERN1 O75460 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL31432497 0.82 MAPT (0.53) CA12CA1CA9KDM4ERAB9A
SCHEMBL31432580 0.82 MAPT (0.47) CA12CA1CA9KDM4ERAB9A
SCHEMBL38654208 0.82 MAPT (0.53) CA12CA1CA9KDM4ERAB9A
SCHEMBL1638024 0.82 KDM4E (0.49) KDM4ERAB9APOLBALDH1A1TUBB1
SCHEMBL26987755 0.81 ALDH1A1 (0.58) CA12CA1CA9KDM4EMEN1
SCHEMBL29675123 0.81 FDPS (0.66) MEN1POLBKMT2AALDH1A1HPGD
SCHEMBL5638579 0.80 CA12 (0.57) CA12CA1CA9ALDH1A1HPGD
SCHEMBL11815908 0.79 L3MBTL1 (0.58) CA12CA1CA9KDM4ERAB9A
SCHEMBL3071450 0.78 CA12 (0.56) CA12CA1CA9POLBALDH1A1
SCHEMBL31432486 0.78 ALDH1A1 (0.42) CA12CA1CA9KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097269-A1 PHENYLOXYANILINE DERIVATIVES LEHMANN LUTZ 2011-04-28 US disclosed
US-7803960-B2 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-28 US disclosed
EP-2064176-A1 PHENYLOXYANILINE DERIVATIVES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-03 EP disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
WO-2008028533-A1 PHENYLOXYANILINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
EP-1894915-A1 Phenyloxyaniline derivatives Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-05 EP 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 (2 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-20110097269-A1 PHENYLOXYANILINE DERIVATIVES PNMT, PAH, NAT1 CA12 3642/4885CA1 3152/4885CA9 2431/4885
US-20080177108-A1 Phenyloxyaniline derivatives PNMT, PAH, NAT1 CA12 3642/4885CA1 3152/4885CA9 2431/4885

“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.