SCHEMBL2102383

SCHEMBL2102383

CC(C)[Si](Oc1ccc(C(=O)CSc2ccccc2O)cc1)(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 4/20 0.42
HSD11B1 P28845 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2102887 0.79 ADORA2A (0.36) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL4703946 0.78 P4HB (0.41) SMN1; SMN2POLBLMNAKMT2A
SCHEMBL2100073 0.77 POLB (0.38) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL9787055 0.76 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBHSP90AA1
SCHEMBL2101678 0.75 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL2099154 0.73 ABCB1 (0.48) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL2103554 0.73 STS (0.54) RAB9ANPC1TSHRL3MBTL1KMT2A
SCHEMBL2099236 0.72 CNR1 (0.35) LMNAKDM4ETSHRKMT2A
SCHEMBL2099644 0.72 GSK3B (0.59) NPC1
SCHEMBL6812401 0.71 STS (0.53) NPC1SMN1; SMN2HPGDL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 RAB9A 3100/4885NPC1 3375/4885SMN1; SMN2 3660/4885

“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.