SCHEMBL1372956

SCHEMBL1372956

Cc1ccccc1C[C@H]1CN[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
S1PR1 P21453 5/20 0.41
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 3/20 0.40
EPHX2 P34913 1/20 0.39
F2 P00734 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 2/20 0.38
MMP13 P45452 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL2170199 1.00 MAPT (0.43) MAPTLMNAALDH1A1S1PR1CYP2D6
SCHEMBL1372386 0.90 F2 (0.41) MAPTS1PR1CYP2D6CYP3A4CYP2C9
SCHEMBL2170540 0.90 F2 (0.41) MAPTS1PR1CYP2D6CYP3A4CYP2C9
SCHEMBL2170259 0.90 S1PR1 (0.42) S1PR1CYP2D6CYP3A4CYP2C9EPHX2
SCHEMBL2170257 0.90 S1PR1 (0.42) S1PR1CYP2D6CYP3A4CYP2C9EPHX2
SCHEMBL1372949 0.90 S1PR1 (0.42) S1PR1CYP2D6CYP3A4CYP2C9EPHX2
SCHEMBL1372153 0.88 S1PR1 (0.41) MAPTLMNAS1PR1CYP2D6CYP3A4
SCHEMBL2356583 0.87 S1PR1 (0.40) S1PR1CYP2D6CYP3A4CYP2C9EPHX2
SCHEMBL1372171 0.87 S1PR1 (0.40) S1PR1CYP2D6CYP3A4CYP2C9EPHX2
SCHEMBL1371656 0.86 S1PR1 (0.53) S1PR1CYP2D6CYP3A4CYP2C9EPHX2

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 MAPT 4150/4885LMNA 3406/4885ALDH1A1 4114/4885

“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.