SCHEMBL2199531

SCHEMBL2199531

CCCC(=O)OC(=O)c1cc(Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 2/20 0.38
KCNH2 Q12809 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
F2R P25116 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TLR8 Q9NR97 1/20 0.36
ABL1 P00519 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8138598 0.81 ALDH1A1 (0.47) ALDH1A1GAALMNATSHRALOX15
SCHEMBL4466462 0.81 ALDH1A1 (0.40) ALDH1A1GAATSHRKDM4EMEN1
SCHEMBL9224306 0.80 CYP1A2 (0.51) ALDH1A1POLBGAALMNAL3MBTL1
SCHEMBL2200203 0.80 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1TSHRALOX15
SCHEMBL28499259 0.80 CES2 (0.48) ALDH1A1KDM4E
SCHEMBL6222479 0.79 CYP1A2 (0.44) ALDH1A1POLBGAALMNAL3MBTL1
SCHEMBL9824312 0.78 ALDH1A1 (0.40) ALDH1A1GAALMNAL3MBTL1TSHR
SCHEMBL19971601 0.78 MAPK1 (0.52) TSHRALOX15KDM4EMEN1KMT2A
SCHEMBL2080443 0.77 CES2 (0.49) ALDH1A1POLBGAAL3MBTL1TDP1
SCHEMBL10472450 0.77 ALDH1A1 (0.39) ALDH1A1POLBGAALMNARECQL

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 1844/4885POLB 26/4885GAA 1259/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 ALDH1A1 2042/4885POLB 22/4885GAA 1620/4885

“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.