SCHEMBL6206625

SCHEMBL6206625

CCCCCc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)O)CCOC(C(C)(C)C)C3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 6/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
MAPT P10636 3/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.36
MMP1 P03956 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
SCHEMBL6251227 0.86 RAB9A (0.51) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
Trifluoroacetic Acid SCHEMBL6205958 0.83 RAB9A (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6207037 0.82 DGAT1 (0.40) MMP1MMP9MMP13
SCHEMBL6206693 0.79 MMP8 (0.36) MMP1MMP9MMP13
SCHEMBL6206622 0.79 MMP13 (0.45) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6697955 0.78 MMP13 (0.60) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
Hydrochloric Acid SCHEMBL6206733 0.77 MMP13 (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6205960 0.75 MMP13 (0.43) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6207085 0.75 MMP13 (0.43) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6231419 0.73 MMP2 (0.41) MMP1MMP9MMP13ADAM17

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 RAB9A 3999/4885SMN1; SMN2 2960/4885NPC1 3473/4885

“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.