SCHEMBL1371585

SCHEMBL1371585

COc1ccc([C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.48
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
MMP1 P03956 2/20 0.42
MMP9 P14780 2/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MMP13 P45452 1/20 0.41
STS P08842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
GRIN2B Q13224 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL16972087 0.87 HTRA1 (0.50) HTRA1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL1243964 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4
SCHEMBL4195796 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4
SCHEMBL5203691 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4
SCHEMBL9543379 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4
SCHEMBL2239296 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4
SCHEMBL205497 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4
SCHEMBL1782234 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4
SCHEMBL5201925 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4
SCHEMBL5206918 0.87 HTRA1 (0.60) HTRA1POLBGPR119CYP1A2CYP3A4

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 HTRA1 2733/4885ALDH1A1 4114/4885POLB 2626/4885

“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.