SCHEMBL2193569

SCHEMBL2193569

CC(C)C[C@@H](C1CC1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMYD2 Q9NRG4 3/20 0.39

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
SCHEMBL2191491 0.87 CYP3A4 (0.41) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL13374068 0.81 SMYD2 (0.42) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL20531233 0.80 CYP3A4 (0.41) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL14877043 0.80 CYP3A4 (0.41) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2190800 0.79 SMYD2 (0.41) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL30440112 0.77 MEN1 (0.39) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL30439364 0.75 CTSK (0.45) CYP3A4
SCHEMBL2188849 0.75
SCHEMBL2193572 0.73 CYP3A4 (0.39) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL29624597 0.73 SMYD2 (0.43) CYP3A4HTTSMN1; SMN2SMYD2

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-8288551-B2 Targeted nitroxide agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-16 US disclosed
US-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-07-14 US disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 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-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY TXNRD2, TXN2, HSPE1 CYP3A4 2111/4885HTT 2621/4885SMN1; SMN2 938/4885
US-20100035869-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CYP3A4 1585/4885HTT 1855/4885SMN1; SMN2 802/4885

“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.