SCHEMBL5126871

SCHEMBL5126871

CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)c(F)c2)nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
FOS P01100 3/20 0.44
JUN P05412 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
HSD17B10 Q99714 1/20 0.44
KIF11 P52732 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5120286 0.88 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL4181661 0.88 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5124459 0.86 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5328339 0.83 KIF11 (0.42) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL8395412 0.83 FOS (0.60) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5114768 0.83 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5119482 0.81 PDGFRB (0.48) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5124912 0.81 CYP1A2 (0.55) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5126930 0.81 KDM4E (0.49) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5120810 0.80 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 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-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof DPYD, TYMP, TYMS ALDH1A1 489/4885MAPT 4222/4885SMN1; SMN2 4094/4885

“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.