Sugi Predict

Sugi Predict / Compounds / SCHEMBL773526

SCHEMBL773526

SCHEMBL773526

CC(C)Cn1ncc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1C1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.58
▸ PLAT P00750 4/20 0.51
▸ PIM1 P11309 2/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ S1PR5 Q9H228 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ CCR6 P51684 1/20 0.41

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
SCHEMBL772301 0.81 S1PR1 (0.55) S1PR1PLATPIM1PIM2NR1H4
SCHEMBL797773 0.79 S1PR1 (0.74) S1PR1PLATS1PR5
SCHEMBL771959 0.79 S1PR1 (0.64) S1PR1PLATNR1H4ALOX15S1PR5
SCHEMBL772177 0.79 S1PR1 (0.64) S1PR1PLAT
SCHEMBL771688 0.79 S1PR1 (0.68) S1PR1PLAT
SCHEMBL772529 0.73 S1PR1 (1.00) S1PR1S1PR5
SCHEMBL803889 0.73 PLAT (0.45) S1PR1PLATPIM1PIM2NR1H4
SCHEMBL772870 0.73 S1PR1 (0.56) S1PR1PLATNR1H4ALOX15S1PR5
SCHEMBL772990 0.70 NPC1 (0.57) S1PR1PLATNR1H4ALOX15S1PR5
SCHEMBL17738221 0.68 PLAT (1.00) PLAT

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 1/4885PLAT 2031/4885PIM1 1486/4885

“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.