SCHEMBL3278512

SCHEMBL3278512

CCOc1ccc(CCOc2c(Cl)cc(CC[C@@](C)(NC(=O)OC(C)(C)C)C(O[PH2]=O)(OC(C)(C)C)OC(C)(C)C)cc2OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
MAPT P10636 6/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 3/20 0.32
POLB P06746 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
PKM P14618 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
SCHEMBL3278508 0.89 NPC1 (0.34) NPC1MAPTLMNASMN1; SMN2TDP1
SCHEMBL295949 0.84 S1PR2 (0.33) NPC1MAPTLMNASMN1; SMN2TDP1
SCHEMBL295921 0.81 S1PR1 (0.37) SMN1; SMN2KMT2AS1PR2S1PR1S1PR3
SCHEMBL296595 0.78 SMN1; SMN2 (0.47) NPC1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL295746 0.77 NPC1 (0.34) NPC1MAPTLMNASMN1; SMN2TDP1
SCHEMBL295948 0.73 S1PR2 (0.33) NPC1MAPTLMNASMN1; SMN2TDP1
SCHEMBL296294 0.73 SMN1; SMN2 (0.44) NPC1LMNASMN1; SMN2TDP1HPGD
SCHEMBL296295 0.73 SMN1; SMN2 (0.44) NPC1LMNASMN1; SMN2TDP1HPGD
SCHEMBL296488 0.72 SMN1; SMN2 (0.39) MAPTSMN1; SMN2TDP1HPGDPOLB
SCHEMBL688546 0.71 PPARA (0.41) NPC1SMN1; SMN2ALDH1A1KMT2AS1PR1

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-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 NPC1 1423/4885MAPT 3389/4885LMNA 3688/4885

“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.