SCHEMBL14330929

SCHEMBL14330929

FC(F)(F)c1cc(-c2nc(-c3ccncc3)no2)ccc1I

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.72
▸ S1PR3 Q99500 4/20 0.67
▸ NPC1 O15118 8/20 0.60
▸ RAB9A P51151 8/20 0.60
▸ TP53 P04637 2/20 0.53
▸ MAPT P10636 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL19766696 0.87 S1PR1 (0.78) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL13416794 0.84 S1PR1 (0.72) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL13416797 0.84 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL14331473 0.83 S1PR1 (0.67) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL19766695 0.82 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL13417221 0.81 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL13525832 0.78 NPC1 (0.55) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL13416795 0.76 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL13416805 0.74 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL5959967 0.74 SMN1; SMN2 (0.85) S1PR1S1PR3NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329838-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-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885NPC1 1349/4885

“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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