SCHEMBL3093073

SCHEMBL3093073

N#Cc1cccc(-c2ccc3c(C(=O)O)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.46
SLC22A12 Q96S37 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN9 P43378 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
HSD17B3 P37058 1/20 0.38
MCL1 Q07820 1/20 0.37
PGR P06401 1/20 0.37
CSF1R P07333 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLG P00747 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
SCHEMBL3098574 0.88 XDH (0.42) XDHSLC22A12PTGDR2PTPRCPTPN2
SCHEMBL3317797 0.87 XDH (0.41) XDHSLC22A12PTGDR2HSD17B3PGR
SCHEMBL3100744 0.87 MCL1 (0.46) XDHSLC22A12PTGDR2HSD17B3MCL1
SCHEMBL3102599 0.85 MCL1 (0.44) MCL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3100585 0.85 XDH (0.39) XDHSLC22A12PTGDR2HSD17B3PGR
SCHEMBL3105076 0.85 XDH (0.39) XDHSLC22A12PTGDR2HSD17B3MCL1
SCHEMBL3320298 0.83 KDM4E (0.43) XDHSLC22A12HSD17B3MAPTTSHR
SCHEMBL3096801 0.82 MAPT (0.44) PTPN1MCL1FLT1FLT4KDR
SCHEMBL3098576 0.81 MKNK1 (0.48) MCL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13335731 0.79 PLG (0.41) XDHSLC22A12PGRCSF1RPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders BAER PHAMACEUTICALS CORPORATION (US) 2006-08-31 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 XDH 329/4885SLC22A12 3241/4885PTGDR2 860/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI XDH 160/4885SLC22A12 2151/4885PTGDR2 717/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 XDH 329/4885SLC22A12 3241/4885PTGDR2 860/4885

“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.