SCHEMBL7151880

SCHEMBL7151880

O=C(NOCc1ccccc1)C(Cc1ccccc1)CS(=O)(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ MME P08473 1/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40

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
SCHEMBL9325914 0.81 ALDH1A1 (0.49) CA12CA1CA2CA9CYP1A2
SCHEMBL7309732 0.81 ALDH1A1 (0.49) CA12CA1CA2CA9CYP1A2
SCHEMBL7300596 0.81 ALDH1A1 (0.49) CA12CA1CA2CA9CYP1A2
SCHEMBL7332197 0.78 KMT2A (0.50) CA12CA1CA2CA9CYP1A2
SCHEMBL7368856 0.78 NPC1 (0.54) NPC1RAB9A
SCHEMBL13386738 0.76 NPC1 (0.59) NPC1RAB9ACA12CA1CA2
SCHEMBL7141356 0.74 EPHX2 (0.51) NPC1CYP1A2MME
SCHEMBL21122445 0.74 ALPI (0.59) NPC1RAB9A
SCHEMBL1258101 0.74 NPC1 (0.57) NPC1RAB9ACYP1A2MMESLC1A3
SCHEMBL7155355 0.74 CYP1A2 (0.68) NPC1RAB9ACYP1A2MME

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
US-20030139419-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2003-07-24 — — US disclosed
CN-1404474-A Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2003-03-19 — — CN disclosed
EP-1261595-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2002-12-04 — — EP disclosed
WO-2001062751-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2001-08-30 — — 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-20030139419-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 NPC1 1118/4885RAB9A 2998/4885CA12 1922/4885

“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.

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