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SCHEMBL1458883

SCHEMBL1458883

Fc1cccc(F)c1-c1cc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 5/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ HPN P05981 1/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ IL2 P60568 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ ORAI1 Q96D31 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35

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
SCHEMBL1458951 0.95 PTGES (0.43) PTGESPTGS1HPNTRPA1IL2
SCHEMBL1460846 0.87 HPN (0.39) PTGESPTGS1HPNTRPA1TNKS
SCHEMBL1459541 0.87 TRPA1 (0.44) PTGESPTGS1HPNTRPA1CYP2C9
SCHEMBL1460941 0.87 PTGES (0.42) PTGESPTGS1HPNTRPA1TNKS
SCHEMBL1459563 0.81 KDM4E (0.48) PTGESORAI1KDM4EMEN1NPC1
SCHEMBL17351258 0.79 KDM4E (0.44) HPNGRM2NPBWR1KDM4ENPSR1
SCHEMBL1458977 0.76 MAPK14 (0.41) ORAI1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1460040 0.76 FFAR1 (0.45) PTGESHPNCYP2C9ORAI1KDM4E
SCHEMBL1464225 0.74 ALDH1A1 (0.46) PTGESTNKSCYP2C9ORAI1KDM4E
SCHEMBL1459665 0.74 KDM4E (0.46) TRPA1KDM4EMEN1NPC1ALDH1A1

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 PTGES 963/4885PTGS1 656/4885HPN 4625/4885

“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.