SCHEMBL3365535

SCHEMBL3365535

CCOC(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2CNCc2cnc(C)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
POLB P06746 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
DHFR P00374 1/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SSTR5 P35346 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL16501940 0.89 CYP1A2 (0.35) CYP11B1CYP11B2CYP3A4ALDH1A1ALOX15
SCHEMBL1922223 0.88 CYP11B1 (0.41) CYP11B1CYP11B2POLBPTGDR2ALOX5AP
SCHEMBL3364482 0.87 SORT1 (0.40) CYP11B1CYP11B2PTGDR2DHFRSMN1; SMN2
SCHEMBL3433920 0.85 GPBAR1 (0.40) CYP11B1CYP11B2PTGDR2DHFRCYP3A4
SCHEMBL3367329 0.85 KCNQ3 (0.40) CYP11B1CYP11B2POLBPTGDR2ALOX5AP
SCHEMBL13428259 0.83 PTGDR2 (0.41) CYP11B1CYP11B2PTGDR2DHFRCYP3A4
SCHEMBL13427927 0.82 PTGDR2 (0.45) PTGDR2
SCHEMBL3366120 0.82 PTGDR2 (0.46) CYP11B1CYP11B2POLBPTGDR2ALOX5AP
SCHEMBL3367794 0.82 PTGDR2 (0.43) CYP11B1CYP11B2PTGDR2ALOX5APFEN1
SCHEMBL3365641 0.81 PTGDR2 (0.47) CYP11B1CYP11B2PTGDR2ALOX5APFEN1

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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP11B1 173/4885CYP11B2 63/4885POLB 3115/4885

“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.