SCHEMBL15905993

SCHEMBL15905993

CC(NC(C)C(C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL14930531 1.00 TP53 (0.35) TP53SLC7A5CYP3A4CYP2C9CYP2C19
SCHEMBL14930534 1.00 TP53 (0.35) TP53SLC7A5CYP3A4CYP2C9CYP2C19
SCHEMBL14926754 1.00 TP53 (0.35) TP53SLC7A5CYP3A4CYP2C9CYP2C19
SCHEMBL14926756 1.00 TP53 (0.35) TP53SLC7A5CYP3A4CYP2C9CYP2C19
SCHEMBL4572680 0.78 TP53 (0.47) TP53SLC7A5CYP2C19RAB9AMME
SCHEMBL109878 0.78 TP53 (0.47) TP53SLC7A5CYP2C19RAB9AMME
SCHEMBL2807366 0.78 TP53 (0.47) TP53SLC7A5CYP2C19RAB9AMME
SCHEMBL3808901 0.78 TP53 (0.47) TP53SLC7A5CYP2C19RAB9AMME
SCHEMBL4572684 0.78 TP53 (0.47) TP53SLC7A5CYP2C19RAB9AMME
SCHEMBL88208 0.78 TP53 (0.47) TP53SLC7A5CYP2C19RAB9AMME

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-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 TP53 4853/4885SLC7A5 3493/4885CYP3A4 2139/4885

“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.