SCHEMBL6205985

SCHEMBL6205985

CCCCOc1ccc(-c2ccc(S(C)(=O)=O)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 3/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MMP13 P45452 5/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RARB P10826 3/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 3/20 0.41
CYP2C9 P11712 3/20 0.41

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
SCHEMBL14569172 0.94 NPC1 (0.50) CYP2D6CYP1A2CYP3A4CA12CA1
SCHEMBL13357631 0.88 MMP13 (0.50) MMP13MAPTMMP1
SCHEMBL14569176 0.87 MMP13 (0.47) RAB9ANPC1MMP13MAPTALDH1A1
SCHEMBL6206170 0.85 L3MBTL1 (0.47) CYP2D6CYP1A2CYP3A4CA12CA1
SCHEMBL6207817 0.81 MMP13 (0.48) CYP2D6CYP1A2CYP3A4MMP13RARB
SCHEMBL3255184 0.81 NPC1 (0.49) CYP2D6CYP1A2CYP3A4CA12CA1
SCHEMBL14569109 0.80 APP (0.63) CYP2D6CYP1A2CYP3A4CA1CA2
SCHEMBL16552630 0.79 CYP2D6 (0.58) CYP2D6CYP1A2CYP3A4TSHRRAB9A
SCHEMBL13309870 0.78 NR5A1 (0.58) CYP2D6CYP1A2CYP3A4TSHRRAB9A
SCHEMBL16552798 0.78 NR5A1 (0.58) CYP2D6CYP1A2CYP3A4TSHRRAB9A

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 CYP2D6 2919/4885CYP1A2 2848/4885CYP3A4 3357/4885

“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.