SCHEMBL4081626

SCHEMBL4081626

COc1ccc(N2CCN(c3nc(-c4ccccc4)c(CCC(=O)N(OC(=O)C(F)(F)F)S(=O)(=O)c4ccccc4)s3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
MAPT P10636 3/20 0.41
GFER P55789 2/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
AR P10275 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4092197 0.86 AR (0.41) CETPGFERKMT2ANPSR1ALDH1A1
Trifluoroacetic Acid SCHEMBL4081620 0.82 GFER (0.46) CETPMAPTGFERKMT2ANPSR1
SCHEMBL348279 0.80 CETP (0.56) CETPMAPTKMT2ANPSR1ALDH1A1
SCHEMBL348313 0.80 GFER (0.50) CETPMAPTGFERKMT2ANPSR1
SCHEMBL4090820 0.79 AR (0.42) CETPKMT2ANPSR1ALDH1A1ADORA3
SCHEMBL4081611 0.79 MAPT (0.59) CETPMAPTKMT2ANPSR1ALDH1A1
SCHEMBL4661535 0.77 NPSR1 (0.46) CETPMAPTGFERKMT2ANPSR1
SCHEMBL347552 0.75 PTGDR2 (0.62) CETPMAPTKMT2ANPSR1ALDH1A1
SCHEMBL347639 0.74 EGFR (0.51) CETPMAPTGFERKMT2ANPSR1
SCHEMBL4085482 0.74 AR (0.65) CETPMAPTKMT2ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists ARGENTA DISCOVERY LIMITED (GB) 2009-09-03 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-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists PTGDR2, PTGDR, PTGER2 CETP 4678/4885MAPT 4289/4885GFER 904/4885

“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.