Sugi Predict

Sugi Predict / Compounds / SCHEMBL775266

SCHEMBL775266

SCHEMBL775266

c1ccc(-c2c(-c3noc(-c4cccnc4)n3)cnn2C2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.63
▸ TP53 P04637 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNA5 P30532 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ TSHR P16473 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ PPARA Q07869 1/20 0.46

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
SCHEMBL798225 0.91 S1PR1 (0.66) S1PR1TP53SMN1; SMN2CHRNB2CHRNA5
SCHEMBL773719 0.91 S1PR1 (0.70) S1PR1POLB
SCHEMBL798224 0.84 S1PR1 (0.73) S1PR1
SCHEMBL771681 0.83 S1PR1 (0.78) S1PR1SMN1; SMN2ALDH1A1RAB9AHSD17B10
SCHEMBL772801 0.81 S1PR1 (0.63) S1PR1RAB9AMAPTNPC1
SCHEMBL798222 0.80 S1PR1 (0.81) S1PR1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL772903 0.79 S1PR1 (0.92) S1PR1
SCHEMBL772722 0.79 S1PR1 (0.58) S1PR1
SCHEMBL13048673 0.78 S1PR1 (0.76) S1PR1SMN1; SMN2RAB9ANPC1
SCHEMBL798111 0.77 S1PR1 (1.00) S1PR1

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 1/4885TP53 4734/4885SMN1; SMN2 895/4885

“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.