SCHEMBL4503443

SCHEMBL4503443

COC(=O)C(C(=O)OC)c1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RIPK1 Q13546 1/20 0.41
MAPT P10636 1/20 0.41
NR3C2 P08235 1/20 0.41
KMT2A Q03164 2/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2836423 0.87 KMT2A (0.50) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL23301730 0.85 CES2 (0.45) SMN1; SMN2LMNARAB9AGAAALDH1A1
SCHEMBL16584949 0.85 RIPK1 (0.43) SMN1; SMN2LMNARAB9AGAAALDH1A1
SCHEMBL29723949 0.85 CES2 (0.45) SMN1; SMN2LMNARAB9AGAAALDH1A1
SCHEMBL5251229 0.80 KMT2A (0.50) SMN1; SMN2LMNAGAAALDH1A1MAPT
SCHEMBL2836425 0.80 KMT2A (0.47) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL5255790 0.79 CES2 (0.43) GAAALDH1A1RIPK1
SCHEMBL8323980 0.79 ALB (0.47) SMN1; SMN2RAB9AGAAALDH1A1KMT2A
SCHEMBL8327982 0.79 TSHR (0.49) SMN1; SMN2LMNARAB9AALDH1A1MAPT
SCHEMBL5254396 0.77 MAPK1 (0.39) GAAALDH1A1RIPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 SMN1; SMN2 3995/4885LMNA 3788/4885RAB9A 2226/4885

“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.