Sugi Predict

Sugi Predict / Compounds / SCHEMBL773147

SCHEMBL773147

SCHEMBL773147

Fc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4)c3-c3ccccc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 1.00
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ BLVRB P30043 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL772500 0.97 S1PR1 (1.00) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL773060 0.89 S1PR1 (0.83) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL774455 0.86 S1PR1 (1.00) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL774097 0.85 S1PR1 (0.74) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL773364 0.85 S1PR1 (0.79) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL771288 0.83 S1PR1 (0.74) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL772609 0.82 S1PR1 (0.72) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL773443 0.82 S1PR1 (0.80) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL773462 0.82 S1PR1 (0.76) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL772453 0.81 S1PR1 (1.00) S1PR1NPC1RAB9ASMN1; SMN2MEN1

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 9 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
WO-2010142628-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO S.A. (CH) 2010-12-16 — — 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-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 734/4885RAB9A 3147/4885

“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.