SCHEMBL16468656

SCHEMBL16468656

O=C(O)CCNCCCCCCCCC(Cc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.56
FOLH1 Q04609 2/20 0.48
LTA4H P09960 2/20 0.43
CHRM2 P08172 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASR P41180 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40

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
SCHEMBL16489861 0.95 S1PR1 (0.52) S1PR1FOLH1CHRM2SMN1; SMN2CASR
SCHEMBL16468792 0.87 S1PR1 (0.73) S1PR1FOLH1CHRM2CASRADRB1
SCHEMBL16469145 0.84 S1PR1 (0.58) S1PR1FOLH1CHRM2CASRS1PR3
SCHEMBL16469104 0.81 LMNA (0.41) S1PR1CASRALDH1A1KMT2ATP53
SCHEMBL16468949 0.80 S1PR1 (0.42) S1PR1CHRM2CASRKMT2ATP53
SCHEMBL16506665 0.78 S1PR1 (0.77) S1PR1FOLH1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16506178 0.77 S1PR1 (0.78) S1PR1FOLH1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL15194131 0.75 S1PR1 (0.72) S1PR1FOLH1LTA4HS1PR3S1PR5
SCHEMBL16470812 0.75 S1PR5 (0.46) S1PR1KMT2AS1PR5
SCHEMBL15192010 0.75 S1PR1 (0.72) S1PR1FOLH1ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US claimed
WO-2015023837-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 WO claimed
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
WO-2015023837-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 WO 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-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885FOLH1 1935/4885LTA4H 983/4885

“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.