SCHEMBL2199988

SCHEMBL2199988

CC(=O)CCC(C)(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.43
SLC15A2 Q16348 1/20 0.43
TSHR P16473 2/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
GAA P10253 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
GGT1 P19440 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
PAOX Q6QHF9 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
SCHEMBL16599204 0.80 MMP8 (0.45) ALDH1A1LMNASLC15A2TSHRGAA
SCHEMBL2612046 0.79 ALDH1A1 (0.45) ALDH1A1LMNASLC15A2TSHRHMGCR
SCHEMBL2184017 0.75 TDP1 (0.41) ALDH1A1TSHRNAALAD2CYP2D6CYP2C19
SCHEMBL12640188 0.75 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2HMGCRCHRM1
SCHEMBL681141 0.75
SCHEMBL5474459 0.75 ALDH1A1 (0.42) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL3174218 0.72
SCHEMBL28722246 0.72 ALDH1A1 (0.50) ALDH1A1LMNASLC15A2HMGCRCHRM1
SCHEMBL1902516 0.72 ALDH1A1 (0.40) ALDH1A1LMNATSHRHMGCRCHRM1
SCHEMBL4458794 0.72 TSHR (0.40) ALDH1A1TSHRHMGCRCHRM1TBXA2R

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 ALDH1A1 1844/4885LMNA 4118/4885SLC15A2 3934/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 ALDH1A1 2042/4885LMNA 2007/4885SLC15A2 3558/4885

“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.