SCHEMBL6329007

SCHEMBL6329007

CCCCc1ccc(S(=O)(=O)NCC(C)S)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.57
TSHR P16473 1/20 0.57
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
CA2 P00918 2/20 0.51
ALDH1A1 P00352 5/20 0.51
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
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL6329695 0.84 ALDH1A1 (0.57) TSHRCA2ALDH1A1KMT2AL3MBTL1
SCHEMBL6323272 0.81 LMNA (0.58) SMN1; SMN2LMNAHTTTSHRFFAR1
SCHEMBL6320849 0.81 ADAMTS4 (0.58) SMN1; SMN2LMNAHTTTSHRCA2
SCHEMBL13753686 0.81 LMNA (0.66) SMN1; SMN2LMNAHTTTSHRFFAR1
SCHEMBL17024394 0.80 SMN1; SMN2 (0.73) SMN1; SMN2LMNAHTTTSHRFFAR1
SCHEMBL6323468 0.78 GBA1 (0.70) SMN1; SMN2TSHRCA2ALDH1A1ATM
SCHEMBL6329000 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTTSHRFFAR1
SCHEMBL6329003 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTTSHRFFAR1
SCHEMBL6324078 0.76 SIGMAR1 (0.51) TSHRCA2ALDH1A1
SCHEMBL6329766 0.76 CA1 (0.73) SMN1; SMN2LMNATSHRCA2ALDH1A1

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 2514/4885LMNA 2367/4885HTT 1823/4885

“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.