SCHEMBL3105095

SCHEMBL3105095

COCCNCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(CN(OC(=O)C(F)(F)F)S(C)(=O)=O)c3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30
AVPR1B P47901 1/20 0.30
RAF1 P04049 1/20 0.30
MAP2K1 Q02750 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTR5A P47898 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL3105083 0.86 AVPR1B (0.36) HTTAVPR1BRAF1MAP2K1NPC1
SCHEMBL3096800 0.81 CYP1A2 (0.41) HTTTSHRRAF1MAP2K1NPC1
SCHEMBL13155447 0.77 IGF1R (0.39)
SCHEMBL3098497 0.74 HPGD (0.45) POLBHTTNPC1RAB9A
SCHEMBL3098577 0.71 TMEM97 (0.39) TMEM97SIGMAR1
SCHEMBL3093653 0.71 AURKA (0.41) RAB9A
SCHEMBL3092625 0.71 NPC1 (0.43) NPC1RAB9A
SCHEMBL3097629 0.71 HSD17B3 (0.38) TSHRRAF1MAP2K1NPC1RAB9A
SCHEMBL3559001 0.70 MCL1 (0.41)
SCHEMBL3105125 0.70 NPC1 (0.41) POLBRAF1MAP2K1NPC1RAB9A

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 POLB 179/4885MCOLN3 2197/4885HTT 3073/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI POLB 221/4885MCOLN3 2890/4885HTT 3071/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 POLB 179/4885MCOLN3 2197/4885HTT 3073/4885

“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.