SCHEMBL4978655

SCHEMBL4978655

Cc1c(F)c(F)c(F)c(Cl)c1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
IMPDH2 P12268 4/20 0.38
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL10441313 0.82 AKR1B1 (0.42) AKR1B1IMPDH2CES2CES1
SCHEMBL10441333 0.81 AKR1B1 (0.45) AKR1B1IMPDH2AKR1C3AKR1C2CES2
SCHEMBL4103547 0.77 IMPDH2 (0.39) AKR1B1IMPDH2AGBL2KDM4ECYP1A2
SCHEMBL3416133 0.73 AGBL2 (0.39) AGBL2KDM4EALDH1A1GAAMAPT
SCHEMBL503968 0.71 AKR1B1 (0.41) AKR1B1AGBL2KDM4ECYP1A2CYP3A4
SCHEMBL15948206 0.71 AKR1B1 (0.41) AKR1B1LMNAAGBL2KDM4ECYP1A2
SCHEMBL15948146 0.69 AKR1B1 (0.39) AKR1B1AGBL2KDM4ECYP1A2CYP3A4
SCHEMBL10441252 0.69 SMN1; SMN2 (0.44) AKR1B1SMN1; SMN2AGBL2MEN1KMT2A
SCHEMBL11744319 0.69 AKR1B1 (0.42) AKR1B1AKR1C2SMN1; SMN2KDM4ECYP1A2
SCHEMBL15948192 0.69 AKR1B1 (0.42) AKR1B1LMNAAGBL2KDM4ECYP1A2

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
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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 (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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR AKR1B1 1368/4885IMPDH2 293/4885AKR1C3 2553/4885

“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.