SCHEMBL4262285

SCHEMBL4262285

CC(C)CCOc1cc(C(=O)O)nc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.49
MAPK1 P28482 1/20 0.49
P2RY12 Q9H244 8/20 0.46
LTB4R Q15722 1/20 0.46

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
SCHEMBL4267571 0.89 P2RY12 (0.45) MAPK1P2RY12LTB4R
SCHEMBL1111239 0.84 P2RY12 (0.52) MCL1P2RY12
Hydrochloric Acid SCHEMBL15574551 0.83 MAPK1 (0.55) MCL1MAPK1
SCHEMBL2899930 0.83 MCL1 (0.52) MCL1LTB4R
SCHEMBL4271936 0.82 NPC1 (0.55) MCL1MAPK1P2RY12
SCHEMBL4267602 0.81 ADORA1 (0.49) MAPK1LTB4R
SCHEMBL4264891 0.80 TLR8 (0.49) MAPK1LTB4R
SCHEMBL4259792 0.79 RARB (0.53) MCL1P2RY12
SCHEMBL4265711 0.79 MCL1 (0.74) MCL1P2RY12
SCHEMBL2908039 0.78 MCL1 (0.45) MCL1P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 MCL1 3227/4885MAPK1 2607/4885P2RY12 4743/4885

“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.