SCHEMBL6286779

SCHEMBL6286779

CCCCc1ccc(C(=O)C2CCN(c3nc4ccc(S(=O)(=O)C5(C(=O)OC(C)(C)C)CCOCC5)cc4s3)CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 10/20 0.39
HTT P42858 2/20 0.37
STAT3 P40763 1/20 0.37
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
NAAA Q02083 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6234098 0.90 TP53 (0.44) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL8312493 0.88 MMP13 (0.47) MAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6264619 0.88 MMP13 (0.46) MAPTSMN1; SMN2TP53
SCHEMBL6229683 0.85 NPC1 (0.39) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL8317247 0.84 MAPT (0.42) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL6232760 0.84 MMP13 (0.39)
SCHEMBL6701004 0.77 SCN9A (0.41) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL6227098 0.74 CYP3A4 (0.44) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6229279 0.73 RORC (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6263388 0.73 MMP13 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565459-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-24 EP disclosed
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 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 (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-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 MAPT 3438/4885NPC1 3473/4885RAB9A 3999/4885

“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.