SCHEMBL1375586

SCHEMBL1375586

COc1ccc([C@H]2CN[C@H](C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.48
FPR1 P21462 1/20 0.48
MMP2 P08253 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2171912 1.00 FPR2 (0.48) FPR2FPR1MMP2MMP13MMP1
SCHEMBL2170273 0.89 S1PR1 (0.51) MMP2MMP13MMP1MMP3MMP9
SCHEMBL1372387 0.89 S1PR1 (0.51) MMP2MMP13MMP1MMP3MMP9
SCHEMBL1373852 0.80 EPHX2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL1375039 0.80 EPHX2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL1372130 0.80 EPHX2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL2169869 0.80 EPHX2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL1373946 0.78 S1PR1 (0.52) FPR2MMP2MMP13MMP1MMP3
SCHEMBL1373800 0.77 EPHX2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL2171337 0.77 MTNR1B (0.50) MMP13MTNR1AMTNR1BPOLBCYP3A4

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-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 FPR2 306/4885FPR1 175/4885MMP2 3079/4885

“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.