SCHEMBL1111535

SCHEMBL1111535

CC(C)(C)[Si](C)(C)OC(C/C=C/I)C1(c2cccs2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.40
SLC6A4 P31645 1/20 0.38
SLC6A2 P23975 1/20 0.31
MEN1 O00255 1/20 0.30
PRCP P42785 1/20 0.30
KMT2A Q03164 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
SCHEMBL1111537 1.00 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2MEN1PRCP
SCHEMBL4025513 0.82 HSD11B1 (0.31)
SCHEMBL4025524 0.82 HSD11B1 (0.31)
SCHEMBL1111568 0.72
SCHEMBL1111572 0.72
SCHEMBL2000021 0.70
SCHEMBL3366060 0.70
SCHEMBL7956129 0.70
SCHEMBL5168798 0.70
SCHEMBL3366057 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193373-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-06-05 US disclosed
US-8193373-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-06-05 US disclosed
US-7960378-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-14 US disclosed
US-7960378-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-14 US disclosed
EP-2279169-A2 THERAPEUTIC COMPOUNDS Allergan, Inc. (US) 2011-02-02 EP disclosed
US-20100063303-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2010-03-11 US disclosed
US-20100063303-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2010-03-11 US disclosed
US-20090239930-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-20090239930-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-09-24 US disclosed
WO-2009117467-A2 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-09-24 WO disclosed
WO-2008073752-A2 CYCLOBUTYL DERIVATIVES FOR THE TREATMENT OF GLAUCOMA ALLERGAN, INC. (US) 2008-06-19 WO 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-20090239930-A1 THERAPEUTIC COMPOUNDS GBA1, ACER2, SLC10A1 SLC6A3 294/4885SLC6A4 329/4885SLC6A2 159/4885
US-20100063303-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ABCB1 SLC6A3 1889/4885SLC6A4 1691/4885SLC6A2 1019/4885

“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.