Sugi Predict

Sugi Predict / Compounds / SCHEMBL1458979

SCHEMBL1458979

SCHEMBL1458979

COC(=O)c1ccc(-c2ccc3[nH]c(-c4ccccc4Cl)cc3c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.47
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ RHEB Q15382 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ PLAT P00750 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ TNKS2 Q9H2K2 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
SCHEMBL1458836 0.89 FFAR1 (0.47) FFAR1SLC2A1PPARGROCK2ROCK1
SCHEMBL1460059 0.88 FFAR1 (0.52) FFAR1PIM1PPARGF2F10
SCHEMBL1458758 0.88 FFAR1 (0.47) FFAR1ABCB1PIM1PPARGROCK2
SCHEMBL1460959 0.87 CHEK2 (0.49) FFAR1PIM1PPARGF2F10
SCHEMBL1460056 0.85 ORAI1 (0.49) FFAR1RHEBSLC2A1ROCK2ROCK1
SCHEMBL1459974 0.81 ROCK2 (0.42) FFAR1SLC2A1PPARGROCK2ROCK1
SCHEMBL1458977 0.76 MAPK14 (0.41) FFAR1RHEBROCK2ROCK1F2
SCHEMBL1459725 0.76 CYP19A1 (0.51) FFAR1GAAPIM1TNKS2KDM4E
SCHEMBL1459647 0.75 FFAR1 (0.42) FFAR1PIM1PPARGTNKS2
SCHEMBL1251295 0.75 FFAR1 (0.54) FFAR1HTTRHEBKIF11KDM4E

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-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E FFAR1 318/4885LMNA 2616/4885GAA 3955/4885

“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.