Sugi Predict

Sugi Predict / Compounds / SCHEMBL772609

SCHEMBL772609

SCHEMBL772609

Fc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4F)c3-c3ccncc3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.72
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ PKM P14618 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TP53 P04637 3/20 0.46
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL773060 0.93 S1PR1 (0.83) S1PR1RAB9ANPC1PKMKMT2A
SCHEMBL13049848 0.90 S1PR1 (0.65) S1PR1RAB9ANPC1PKMKMT2A
SCHEMBL774455 0.84 S1PR1 (1.00) S1PR1RAB9ANPC1PKMKMT2A
SCHEMBL3757178 0.83 TP53 (0.59) S1PR1RAB9ANPC1PKMKMT2A
SCHEMBL773364 0.82 S1PR1 (0.79) S1PR1RAB9ANPC1KMT2ATP53
SCHEMBL773147 0.82 S1PR1 (1.00) S1PR1RAB9ANPC1PKMKMT2A
SCHEMBL773600 0.82 S1PR1 (0.67) S1PR1RAB9ANPC1PKMKMT2A
SCHEMBL772500 0.81 S1PR1 (1.00) S1PR1RAB9ANPC1PKMKMT2A
SCHEMBL774088 0.80 S1PR1 (0.73) S1PR1RAB9ANPC1PKMKMT2A
SCHEMBL772895 0.80 S1PR1 (0.72) S1PR1RAB9ANPC1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 — — EP disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 — — EP disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 — — US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 — — US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 — — US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 — — US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 — — US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 — — 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-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885RAB9A 3147/4885NPC1 734/4885

“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.