SCHEMBL4178678

SCHEMBL4178678

CC(C)(C)c1ccc(Oc2cccc(C[NH])c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40

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
SCHEMBL16316303 0.85 FDFT1 (0.50) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL8983582 0.84 FDFT1 (0.49) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL13802648 0.84 FAAH (0.49) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL4178681 0.84 ALDH1A1 (0.51) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL4179698 0.81 SMN1; SMN2 (0.60) ALDH1A1MAPTFAAHKDM4EHTT
SCHEMBL13719346 0.81 FDFT1 (0.50) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL1352681 0.81 KDM4E (0.50) FDFT1ALDH1A1HPGDKDM4EHTT
SCHEMBL14093082 0.80 ALDH1A1 (0.49) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL13474891 0.79 MAPT (0.57) FDFT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL10106224 0.79 FDFT1 (0.57) FDFT1FAAH

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 — — US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 — — US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 — — US disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 — — EP disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 — — US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 — — EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 — — US disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 — — US disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 — — EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 — — WO 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 (3 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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT FDFT1 693/4885ALDH1A1 357/4885NPC1 3909/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 FDFT1 840/4885ALDH1A1 1651/4885NPC1 2360/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 FDFT1 1777/4885ALDH1A1 2709/4885NPC1 1468/4885

“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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