SCHEMBL12747850

SCHEMBL12747850

CN(c1cccc(-c2ccccc2)c1)S(=O)(=O)CC1CS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 5/20 0.41
▸ HSD17B2 P37059 5/20 0.41
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ GRIA2 P42262 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ NR1H3 Q13133 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ATM Q13315 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
SCHEMBL10238442 0.83 MMP2 (0.53) MMP1MMP2MMP3MMP7MMP9
SCHEMBL10238436 0.76 MMP2 (0.60) MMP1MMP2MMP3MMP7MMP9
SCHEMBL10238438 0.68 MMP2 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL12717422 0.66 MMP2 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL1252082 0.65 ALDH1A1 (0.52) FFAR1ALDH1A1HSD17B10
SCHEMBL6723762 0.65 CHKA (0.50) HSD17B1HSD17B2ALDH1A1
SCHEMBL6724189 0.63 CHKA (0.49) HSD17B1HSD17B2FFAR1ALDH1A1
SCHEMBL13762630 0.63 CA12 (0.50) ALDH1A1
SCHEMBL6723913 0.63 CHKA (0.49) ALDH1A1
SCHEMBL6723947 0.63 CHKA (0.53) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 — — US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 — — US 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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 HSD17B1 413/4885HSD17B2 779/4885MMP1 2/4885

“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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