SCHEMBL7140472

SCHEMBL7140472

COc1ccc(CS[C@@H]2C[C@@H](C(=O)N(C)Cc3ccccc3)N(S(=O)(=O)CCc3ccccc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.44
MMP8 P22894 2/20 0.44
MMP12 P39900 2/20 0.44
MMP1 P03956 2/20 0.43
MMP3 P08254 2/20 0.43
FKBP1A P62942 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.39
CCR1 P32246 1/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
OPRM1 P35372 1/20 0.38
HSD17B2 P37059 1/20 0.38
LIMK2 P53671 1/20 0.37

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
SCHEMBL7141952 0.88 MMP8 (0.48) MMP13MMP8MMP12MMP1MMP3
SCHEMBL7150749 0.85 MMP1 (0.42) MMP13MMP1MMP3LMNASMN1; SMN2
SCHEMBL7148821 0.85 TP53 (0.42) MMP13MMP8MMP12TAS2R14
SCHEMBL7151387 0.82 MAPK1 (0.46) LMNASMN1; SMN2MAPK1TDP1
SCHEMBL7138647 0.82 MAPK1 (0.46) LMNASMN1; SMN2MAPK1TDP1
SCHEMBL7135734 0.77 POLB (0.45) MMP13MMP8MMP12MMP1MMP3
SCHEMBL5723122 0.76 MME (0.44) MMP13MMP1MMP3LMNASMN1; SMN2
SCHEMBL6974189 0.76 MME (0.44) MMP13MMP1MMP3LMNASMN1; SMN2
SCHEMBL7135744 0.75 MME (0.51) MMP13MMP1MMP3LMNASMN1; SMN2
SCHEMBL7135747 0.75 MME (0.51) MMP13MMP1MMP3LMNASMN1; SMN2

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-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP MMP13 96/4885MMP8 105/4885MMP12 34/4885

“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.