Sugi Predict

Sugi Predict / Compounds / SCHEMBL3558074

SCHEMBL3558074

SCHEMBL3558074

CC(C)c1c(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
▸ HSD17B1 P14061 3/20 0.38
▸ HSD17B2 P37059 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ GPR27 Q9NS67 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ FLT1 P17948 2/20 0.36
▸ FLT4 P35916 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ PIP4K2A P48426 1/20 0.35
▸ PIP4K2B P78356 1/20 0.35

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
SCHEMBL3559572 0.87 HSD17B1 (0.43) HSD17B1HSD17B2SMN1; SMN2
SCHEMBL5012034 0.87 HSD17B3 (0.42) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL13335808 0.86 HSD17B3 (0.42) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3105545 0.86 HSD17B3 (0.41) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3088879 0.85 KIF11 (0.45) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3105125 0.83 NPC1 (0.41) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3105076 0.81 XDH (0.39) HSD17B3
SCHEMBL3105652 0.80 HSD17B3 (0.39) HSD17B3HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL3558995 0.80 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9

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-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 — — 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 (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-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI HSD17B3 572/4885HSD17B1 271/4885HSD17B2 278/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HSD17B3 1071/4885HSD17B1 854/4885HSD17B2 703/4885

“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.