SCHEMBL3097629

SCHEMBL3097629

COCCN(C)Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NS(C)(=O)=O)c3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.38
RAF1 P04049 2/20 0.37
MAP2K1 Q02750 2/20 0.37
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 6/20 0.36
CLK4 Q9HAZ1 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
P2RX7 Q99572 1/20 0.35
BRAF P15056 1/20 0.34
USP2 O75604 3/20 0.33
CYP2C19 P33261 3/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
CASP7 P55210 1/20 0.33
GPR27 Q9NS67 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL3105652 0.92 HSD17B3 (0.39) HSD17B3RAF1MAP2K1CYP1A2CYP3A4
SCHEMBL3088651 0.91 CYP1A2 (0.35) HSD17B3RAF1MAP2K1CYP1A2CYP3A4
SCHEMBL3105125 0.88 NPC1 (0.41) HSD17B3RAF1MAP2K1CYP1A2CYP3A4
SCHEMBL3096800 0.86 CYP1A2 (0.41) HSD17B3RAF1MAP2K1CYP1A2CYP3A4
SCHEMBL13155465 0.84 HSD17B3 (0.36) HSD17B3RAF1MAP2K1CYP1A2CYP3A4
SCHEMBL3105545 0.82 HSD17B3 (0.41) HSD17B3RAF1MAP2K1CYP1A2CYP3A4
SCHEMBL3553532 0.81 MCL1 (0.43) HSD17B3RAF1MAP2K1CYP1A2CYP3A4
SCHEMBL5012034 0.80 HSD17B3 (0.42) HSD17B3CYP1A2CYP3A4ALDH1A1P2RX7
SCHEMBL3229369 0.80 TMEM97 (0.38) CYP1A2ALDH1A1TMEM97SIGMAR1F10
SCHEMBL3098577 0.80 TMEM97 (0.39) TMEM97SIGMAR1FLT1FLT4KDR

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 HSD17B3 1071/4885RAF1 684/4885MAP2K1 1773/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI HSD17B3 572/4885RAF1 435/4885MAP2K1 1647/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HSD17B3 1071/4885RAF1 684/4885MAP2K1 1773/4885

“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.