SCHEMBL295892

SCHEMBL295892

COc1cc(CC[C@](C)(CO)NC(=O)OC(C)(C)C)ccc1OCCCC(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
KCNH2 Q12809 5/20 0.43
TMEM97 Q5BJF2 5/20 0.43
SIGMAR1 Q99720 5/20 0.43
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14268156 0.85 ADRB2 (0.49) MTNR1AMTNR1BALDH1A1
SCHEMBL2463703 0.77 S1PR1 (0.65) S1PR1
SCHEMBL2463699 0.77 S1PR1 (0.65) S1PR1
SCHEMBL2466094 0.77 S1PR1 (0.65) S1PR1
SCHEMBL4337757 0.75 S1PR4 (0.42) PPARAS1PR1
SCHEMBL4337762 0.75 S1PR4 (0.42) PPARAS1PR1
SCHEMBL4819856 0.74 MTNR1A (0.47) KCNH2TMEM97SIGMAR1MTNR1AMTNR1B
SCHEMBL4817934 0.74 S1PR1 (0.45) MTNR1AMTNR1BALDH1A1S1PR1
SCHEMBL13628910 0.73 S1PR1 (0.50) HDAC10HDAC6ALDH1A1SMN1; SMN2S1PR1
SCHEMBL295947 0.72 S1PR2 (0.36) ALDH1A1MAPTSMN1; SMN2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 PPARA 639/4885KCNH2 3359/4885TMEM97 478/4885

“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.