SCHEMBL6229683

SCHEMBL6229683

CCCCc1ccc(C(=O)C2CCN(c3nc4ccc(S(=O)(=O)C5(C(=O)NOC6CCCCO6)CCOCC5)cc4s3)CC2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 8/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP13 P45452 5/20 0.36
MMP2 P08253 3/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CTSK P43235 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL8312493 0.88 MMP13 (0.47) MAPTSMN1; SMN2TP53MMP13MMP2
Hydrochloric Acid SCHEMBL6264619 0.87 MMP13 (0.46) MAPTSMN1; SMN2TP53MMP13MMP2
SCHEMBL6234098 0.86 TP53 (0.44) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL8320135 0.86 MMP13 (0.40) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL6286779 0.85 MAPT (0.40) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL8317247 0.81 MAPT (0.42) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL6267605 0.78 MMP13 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1MMP13
SCHEMBL8312860 0.77 RORC (0.37) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8312513 0.75 MMP13 (0.45) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL6230548 0.75 MMP13 (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53

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 4 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
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 NPC1 3473/4885RAB9A 3999/4885MAPT 3438/4885

“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.