SCHEMBL14330169

SCHEMBL14330169

FC(F)(F)c1sc(-c2nc(-c3ccc4occc4c3)no2)cc1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 14/20 0.75
▸ S1PR5 Q9H228 2/20 0.70
▸ ALOX15 P16050 1/20 0.70
▸ S1PR3 Q99500 6/20 0.55
▸ S1PR4 O95977 1/20 0.55
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL13416529 0.86 S1PR1 (1.00) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL29389224 0.82 S1PR1 (1.00) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL436150 0.82 S1PR1 (1.00) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL13416916 0.82 S1PR1 (0.77) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL24161900 0.81 S1PR1 (0.80) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL401590 0.81 S1PR1 (0.72) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL1413283 0.81 S1PR1 (0.88) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL2929238 0.81 S1PR1 (0.82) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL13417142 0.80 S1PR1 (0.80) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL3826033 0.80 S1PR1 (0.80) S1PR1S1PR5ALOX15S1PR3S1PR4

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-8481573-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-07-09 — — US disclosed
US-8481573-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-07-09 — — US disclosed
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — US disclosed
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — 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-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR5 5/4885ALOX15 1927/4885

“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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