SCHEMBL4112434

SCHEMBL4112434

COCOc1cc(OCC2CC2)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
PDCD1 Q15116 4/20 0.33
CD274 Q9NZQ7 4/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MCTS1 Q9ULC4 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR2C P28335 2/20 0.31

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
SCHEMBL4133338 0.85 NR1H4 (0.39) RIPK1PDCD1CD274SLC16A3SLC16A1
SCHEMBL4119489 0.82 RIPK1 (0.33) RIPK1SLC16A3SLC16A1MCTS1CYP3A4
SCHEMBL12425644 0.81 CLCN2 (0.32) CYP3A4
SCHEMBL4112431 0.77 RIPK1 (0.36) RIPK1PDCD1CD274
SCHEMBL4114627 0.74 PDE5A (0.40) RIPK1
SCHEMBL4115198 0.74 RIPK1 (0.37) RIPK1CYP3A4HTR2C
SCHEMBL4119858 0.74 CNR2 (0.35) RIPK1PDCD1CD274
SCHEMBL4127154 0.73 RIPK1 (0.36) RIPK1PDCD1CD274HTR2C
SCHEMBL2914349 0.70 RIPK1 (0.41) RIPK1CYP3A4HTR2C
SCHEMBL12425646 0.70 LMNA (0.39) HTR2C

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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 (1 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 RIPK1 3129/4885PDCD1 4671/4885CD274 4381/4885

“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.