Sugi Predict

Sugi Predict / Compounds / SCHEMBL1458977

SCHEMBL1458977

SCHEMBL1458977

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.41
▸ ORAI1 Q96D31 2/20 0.41
▸ RHEB Q15382 1/20 0.40
▸ VCP P55072 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ BCL6 P41182 1/20 0.39
▸ BCOR Q6W2J9 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TNKS2 Q9H2K2 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 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
SCHEMBL1459974 0.89 ROCK2 (0.42) ORAI1VCPROCK2ROCK1BRD4
SCHEMBL1460056 0.88 ORAI1 (0.49) MAPK14ORAI1RHEBVCPROCK2
SCHEMBL25614538 0.84 VCP (0.45) MAPK14VCPBRD4F2F10
SCHEMBL1459563 0.82 KDM4E (0.48) ORAI1NPC1RAB9AKMT2AMEN1
SCHEMBL1251295 0.79 FFAR1 (0.54) RHEBVCPBCL6BCORNPC1
SCHEMBL12745342 0.78 ROCK2 (0.43) ORAI1ROCK2ROCK1ALDH1A1
SCHEMBL1461026 0.76 ORAI1 (0.58) ORAI1ROCK2ROCK1FFAR1KDM4E
SCHEMBL1458979 0.76 FFAR1 (0.47) RHEBROCK2ROCK1NPC1RAB9A
SCHEMBL1458883 0.76 PTGES (0.40) ORAI1NPC1RAB9AFFAR1KMT2A
SCHEMBL1459748 0.76 FFAR1 (0.42) FFAR1F2F10PLGPLAU

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 MAPK14 3112/4885ORAI1 1/4885RHEB 882/4885

“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.