Sugi Predict

Sugi Predict / Compounds / SCHEMBL758537

SCHEMBL758537

SCHEMBL758537

Cc1cc(COc2ccc(Cn3ccc(NC(=O)c4c(F)cccc4F)n3)c(C)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.53
▸ ORAI1 Q96D31 2/20 0.53
▸ ORAI3 Q9BRQ5 1/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ LMNA P02545 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ STAT3 P40763 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TYK2 P29597 1/20 0.40

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
SCHEMBL757549 0.91 STIM1 (0.65) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL761190 0.90 STIM1 (0.49) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL758508 0.87 STIM1 (0.54) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL757185 0.85 SMN1; SMN2 (0.59) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL755029 0.83 STIM1 (0.54) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL758439 0.83 STIM1 (0.55) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL758529 0.80 STIM1 (0.74) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL756524 0.80 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL706934 0.78 STIM1 (0.62) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL30096619 0.78 STIM1 (0.62) STIM1ORAI1ORAI3SMN1; SMN2LMNA

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
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.