SCHEMBL6329003

SCHEMBL6329003

CCCCc1ccc(S(=O)(=O)N[C@H](C)CS)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
CA2 P00918 3/20 0.51
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
HTR6 P50406 4/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
AKT1 P31749 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6329000 1.00 SMN1; SMN2 (0.51) SMN1; SMN2CA2FFAR1FFAR4LMNA
SCHEMBL6329691 0.84 CA2 (0.51) SMN1; SMN2CA2LMNAHTTCA12
SCHEMBL6329688 0.84 CA2 (0.51) SMN1; SMN2CA2LMNAHTTCA12
SCHEMBL6320842 0.81 TSHR (0.53) SMN1; SMN2CA2LMNAHTTCA12
SCHEMBL6323269 0.81 CA2 (0.53) SMN1; SMN2CA2LMNAHTTCA12
SCHEMBL6323264 0.81 CA2 (0.53) SMN1; SMN2CA2LMNAHTTCA12
SCHEMBL6323465 0.78 CA2 (0.68) SMN1; SMN2CA2CA12CA9TSHR
SCHEMBL6323466 0.78 CA2 (0.68) SMN1; SMN2CA2CA12CA9TSHR
SCHEMBL6329007 0.77 SMN1; SMN2 (0.57) SMN1; SMN2CA2FFAR1FFAR4LMNA
SCHEMBL6329763 0.76 CA2 (0.54) SMN1; SMN2CA2LMNACA12CA9

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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 SMN1; SMN2 2514/4885CA2 492/4885FFAR1 4454/4885

“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.