SCHEMBL11907830

SCHEMBL11907830

CC(C)(C)OC(=O)CC(C)(O)c1cccnc1NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ P2RY1 P47900 3/20 0.34
▸ PLCG1 P19174 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NAMPT P43490 2/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 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
SCHEMBL1577354 0.87 ALDH1A1 (0.39) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1577617 0.86 L3MBTL1 (0.42) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8691978 0.85 ALDH1A1 (0.40) L3MBTL1ALDH1A1CYP2C19NPC1RAB9A
SCHEMBL31038666 0.80 KMT2A (0.33) L3MBTL1SMN1; SMN2
SCHEMBL5366517 0.80 KMT2A (0.33) L3MBTL1SMN1; SMN2
SCHEMBL1577704 0.76 L3MBTL1 (0.41) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL17980670 0.75 L3MBTL1 (0.50) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9390224 0.71 RAB9A (0.46) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4491943 0.71 CETP (0.45) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18803797 0.71 METAP1 (0.46) NPC1RAB9AP2RY1PLCG1NAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703797-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2014-04-22 — — US disclosed
US-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. 2013-11-07 — — US disclosed
US-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. 2013-11-07 — — US disclosed
US-8507682-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2013-08-13 — — US disclosed
US-8507682-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2013-08-13 — — US disclosed
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. (US) 2012-08-16 — — US disclosed
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. (US) 2012-08-16 — — 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 (2 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-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors S1PR1, S1PR2, S1PR3 L3MBTL1 2354/4885ALDH1A1 2840/4885CYP1A2 1848/4885
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors S1PR1, S1PR2, S1PR3 L3MBTL1 2354/4885ALDH1A1 2840/4885CYP1A2 1848/4885

“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.

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