SCHEMBL839799

SCHEMBL839799

COC(=O)[C@H](CCS(C)(=O)=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MME P08473 1/20 0.35
RECQL P46063 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL839798 1.00 HTT (0.39) HTTKMT2AKDM4ECYP1A2CYP2C19
SCHEMBL23527747 0.82 HTR2A (0.40) KMT2AKDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL1806312 0.82 KMT2A (0.39) KMT2AKDM4EALDH1A1
SCHEMBL5970972 0.82 KMT2A (0.42) KMT2AALDH1A1
SCHEMBL838503 0.81 RECQL (0.42) HTTKMT2ACYP2C19HSD17B10RECQL
SCHEMBL838502 0.81 RECQL (0.42) HTTKMT2ACYP2C19HSD17B10RECQL
SCHEMBL734976 0.76 CYP3A4 (0.36) HTTKMT2ARECQLPOLB
SCHEMBL1526520 0.76 HTT (0.31) HTT
SCHEMBL1526523 0.76 HTT (0.31) HTT
SCHEMBL22029726 0.76 GPR88 (0.38) KMT2ARECQLMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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 (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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 HTT 2010/4885KMT2A 4136/4885KDM4E 3541/4885

“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.