SCHEMBL1459537

SCHEMBL1459537

CCn1nc(-c2ccccc2)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TLR9 Q9NR96 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ SDHB P21912 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL1458796 0.90 GSK3B (0.34) SMN1; SMN2POLBALDH1A1TP53HPGD
SCHEMBL1458892 0.89 CYP2A6 (0.43) ALDH1A1HPGDMAPK1HSD17B10LMNA
SCHEMBL1459578 0.85 PTGS2 (0.46) POLBKMT2ARAB9AMEN1LMNA
SCHEMBL1459530 0.85 SMN1; SMN2 (0.45) SMN1; SMN2POLBALDH1A1HTTRAB9A
SCHEMBL1460054 0.78 TGFBR1 (0.39) POLBALDH1A1TP53LMNASCN9A
SCHEMBL1460033 0.78 KLK3 (0.32) ALDH1A1HPGD
SCHEMBL14844251 0.73 CYP2A6 (0.47) ALDH1A1KMT2AHPGDMAPK1MEN1
SCHEMBL1459533 0.72 GSK3B (0.36) ALDH1A1HPGDMAPK1HSD17B10PTGS2
SCHEMBL1459841 0.72 CYP2A6 (0.42) ALDH1A1HPGDMAPK1HSD17B10LMNA
SCHEMBL1257313 0.71 PTGS2 (0.38) ALDH1A1LMNAPTGS2

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 7 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 disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN 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 SMN1; SMN2 2800/4885POLB 4868/4885ALDH1A1 1801/4885

“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.

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