SCHEMBL5419940

SCHEMBL5419940

CCSc1ccc(-c2cc(C(F)(F)F)ccc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.57
CCR2 P41597 1/20 0.37
NOS3 P29474 4/20 0.36
NOS1 P29475 4/20 0.36
NOS2 P35228 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
BLM P54132 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIF11 P52732 1/20 0.36
PTGS2 P35354 2/20 0.35

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
SCHEMBL5429364 0.78 PTGS1 (0.40) PTGDR2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4158192 0.78 CYP3A4 (0.48) ALDH1A1TP53CYP1A2CYP3A4ALOX15
SCHEMBL3787150 0.77 KIF11 (0.61) ALDH1A1MAPK1MAPTL3MBTL1KIF11
SCHEMBL7054031 0.77 PTGDR2 (0.48) PTGDR2NOS3NOS1NOS2LMNA
SCHEMBL3785538 0.76 GCK (0.38) PTGDR2ALDH1A1TP53CYP3A4MAPK1
SCHEMBL18586254 0.76 KIF11 (0.44) ALDH1A1MAPK1KIF11PKM
SCHEMBL5431464 0.75 PTGDR2 (0.46) PTGDR2KIF11PTGS2
SCHEMBL12493701 0.74 PTGDR2 (0.50) PTGDR2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL3792211 0.74 KIF11 (0.52) PTGDR2ALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL16193476 0.74 L3MBTL1 (0.59) PTGDR2LMNANPSR1TP53MAPT

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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 PTGDR2 1/4885CCR2 462/4885NOS3 3410/4885

“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.