Sugi Predict

Sugi Predict / Compounds / SCHEMBL1459974

SCHEMBL1459974

SCHEMBL1459974

COC(=O)c1ccc(-c2ccc3[nH]c(-c4c(F)cccc4F)cc3c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ ORAI1 Q96D31 1/20 0.40
▸ VCP P55072 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ IL2 P60568 3/20 0.38
▸ FFAR1 O14842 3/20 0.38
▸ PPARG P37231 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1460056 0.93 ORAI1 (0.49) ROCK2ROCK1BRD4SLC2A1ORAI1
SCHEMBL1458977 0.89 MAPK14 (0.41) ROCK2ROCK1BRD4ORAI1VCP
SCHEMBL1459748 0.87 FFAR1 (0.42) FFAR1PPARGMMP13
SCHEMBL1458836 0.87 FFAR1 (0.47) ROCK2ROCK1BRD4SLC2A1VCP
SCHEMBL15020464 0.84 ORAI1 (0.59) ROCK2ROCK1SLC2A1ORAI1NPC1
SCHEMBL1464225 0.82 ALDH1A1 (0.46) ORAI1NPC1RAB9AFFAR1PPARG
SCHEMBL1458818 0.81 KDM4E (0.49) ORAI1NPC1RAB9AFFAR1KMT2A
SCHEMBL1458979 0.81 FFAR1 (0.47) ROCK2ROCK1SLC2A1NPC1RAB9A
SCHEMBL1460100 0.81 CYP1A1 (0.49) ORAI1VCPNPC1RAB9AFFAR1
SCHEMBL12745342 0.79 ROCK2 (0.43) ROCK2ROCK1ORAI1ALDH1A1

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 ROCK2 860/4885ROCK1 688/4885BRD4 1597/4885

“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.