SCHEMBL4399141

SCHEMBL4399141

COc1cc(OC)c(F)c(CC(=O)O)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CA5A P35218 2/20 0.41
CD274 Q9NZQ7 1/20 0.40
AKR1C2 P52895 3/20 0.40
PTGS1 P23219 2/20 0.40
AKR1C3 P42330 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STING1 Q86WV6 1/20 0.38

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
SCHEMBL4405835 0.90 TSHR (0.46) GAAALDH1A1HSD17B10TSHRNFKB1
SCHEMBL4404657 0.89 GAA (0.50) GAAALDH1A1HSD17B10TSHRNFKB1
SCHEMBL4404738 0.88 GAA (0.41) GAAALDH1A1HSD17B10TSHRNFKB1
SCHEMBL4403330 0.83 TSHR (0.44) GAAHSD17B10TSHRCYP3A4MAPK1
SCHEMBL4411877 0.83 GAA (0.47) GAAALDH1A1HSD17B10TSHRNFKB1
SCHEMBL4395979 0.82 GAA (0.46) GAAALDH1A1HSD17B10TSHRNFKB1
SCHEMBL29835991 0.82 GAA (0.46) GAAALDH1A1HSD17B10TSHRNFKB1
SCHEMBL4412766 0.81 TSHR (0.42) GAAALDH1A1HSD17B10TSHRNFKB1
SCHEMBL16071553 0.80 ALDH1A1 (0.45) GAAALDH1A1HSD17B10CYP3A4LMNA
SCHEMBL4399132 0.80 TSHR (0.41) GAAALDH1A1HSD17B10TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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 (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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 GAA 1727/4885ALDH1A1 1779/4885HSD17B10 2499/4885

“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.