SCHEMBL6503364

SCHEMBL6503364

[CH2]S(=O)(=O)Nc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.53
ALDH1A1 P00352 9/20 0.53
MEN1 O00255 9/20 0.53
MAPT P10636 6/20 0.53
KDM4E B2RXH2 5/20 0.53
LMNA P02545 5/20 0.53
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.48
MAPK14 Q16539 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NAMPT P43490 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL7064688 0.90 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL6494722 0.86 ALDH1A1 (0.51) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7038256 0.85 ALDH1A1 (0.50) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7038254 0.85 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7150197 0.84 ALDH1A1 (0.59) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7153166 0.81 KMT2A (0.79) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7154455 0.81 ALDH1A1 (0.53) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7150143 0.81 ALDH1A1 (0.60) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7149285 0.81 ALDH1A1 (0.58) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL17512432 0.81 MEN1 (0.55) KMT2AALDH1A1MEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase BARVIAN NICOLE CHANTEL (US) 2004-03-18 US claimed
US-6906094-B2 1,2,4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase WARNER-LAMBERT COMPANY (US) 2005-06-14 US disclosed
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase BARVIAN NICOLE CHANTEL (US) 2004-03-18 US disclosed
EP-1294687-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096298-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2001-12-20 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 (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-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B KMT2A 4402/4885ALDH1A1 894/4885MEN1 4514/4885

“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.