SCHEMBL2199986

SCHEMBL2199986

CC(=O)COC(=O)C(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ELANE P08246 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3517297 0.78 PRKCA (0.42) ELANEALDH1A1
SCHEMBL1299895 0.76 CYP4F2 (0.44) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL2597461 0.74 TSHR (0.37) TSHRCYP2D6CYP2C19HIF1AELANE
Ammonia Solution, Strong SCHEMBL11065651 0.74 CYP4F2 (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Hydrochloric Acid SCHEMBL11066122 0.74 CYP4F2 (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL8337490 0.74 TSHR (0.37) TSHRCYP2D6CYP2C19HIF1AELANE
Lithium SCHEMBL30945444 0.74 CYP4F2 (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL29214070 0.74 CYP4F2 (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL6064055 0.73 HCAR2 (0.42) TSHRCYP2D6CYP2C19HIF1AELANE
SCHEMBL12394928 0.73 KDM4E (0.34)

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-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
EP-1608631-A4 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC (US) 2008-08-20 EP disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
EP-1799218-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-06-27 EP disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
WO-2006035061-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 WO disclosed
EP-1608631-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC. (US) 2005-12-28 EP disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 US disclosed
WO-2004087056-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ SCIOS INC. (US) 2004-10-14 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-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP TSHR 4711/4885CYP2D6 1014/4885CYP2C19 1021/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 TSHR 3220/4885CYP2D6 3411/4885CYP2C19 2917/4885

“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.