SCHEMBL3105545

SCHEMBL3105545

COc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NS(C)(=O)=O)c3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.41
ACLY P53396 1/20 0.39
POLB P06746 1/20 0.39
FYN P06241 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KIF11 P52732 1/20 0.37
P2RX7 Q99572 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
FLT1 P17948 2/20 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
SCHEMBL3553532 0.88 MCL1 (0.43) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL5012034 0.87 HSD17B3 (0.42) HSD17B3POLBHSD17B1HSD17B2CYP1A2
SCHEMBL3105125 0.87 NPC1 (0.41) HSD17B3ACLYPOLBHSD17B1HSD17B2
SCHEMBL13335808 0.86 HSD17B3 (0.42) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3558074 0.86 HSD17B3 (0.41) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3093653 0.85 AURKA (0.41) ACLYCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3088879 0.85 KIF11 (0.45) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3096800 0.83 CYP1A2 (0.41) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3097629 0.82 HSD17B3 (0.38) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3105652 0.80 HSD17B3 (0.39) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4

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 1071/4885ACLY 2945/4885POLB 179/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI HSD17B3 572/4885ACLY 2021/4885POLB 221/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HSD17B3 1071/4885ACLY 2945/4885POLB 179/4885

“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.