SCHEMBL4398448

SCHEMBL4398448

CCOc1ccc(F)c(C(=O)C(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HNF4A P41235 1/20 0.36
KDM4E B2RXH2 1/20 0.36
WDR5 P61964 1/20 0.36
CREBBP Q92793 1/20 0.36
FABP4 P15090 1/20 0.36
CA9 Q16790 1/20 0.36
HTT P42858 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
FGFR2 P21802 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
SCHEMBL4398112 0.87 TSHR (0.45) L3MBTL1GLATSHRNPC1USP2
SCHEMBL4406981 0.84 RORC (0.41) L3MBTL1GLATSHRGAALMNA
SCHEMBL31609727 0.82 MAPK1 (0.46) TSHRNPC1USP2RAB9ASMN1; SMN2
SCHEMBL4406881 0.81 LMNA (0.46) GLARAB9ASMN1; SMN2FABP4CA9
SCHEMBL4398521 0.81 TSHR (0.44) L3MBTL1GLATSHRNPC1USP2
SCHEMBL5509385 0.77 GAA (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL4398646 0.76 TSHR (0.45) L3MBTL1TSHRNPC1RAB9AHSD17B10
SCHEMBL24240291 0.74 L3MBTL1 (0.47) L3MBTL1HSD17B10GAAKDM4EHTT
SCHEMBL4411829 0.74 RXRA (0.44) L3MBTL1GLATSHRNPC1USP2
SCHEMBL17712592 0.74 PTPN1 (0.43) HSD17B10KDM4ECREBBPFABP4CA9

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 L3MBTL1 3772/4885GLA 2725/4885TSHR 3028/4885

“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.