SCHEMBL6181691

SCHEMBL6181691

CCCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)C#N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.46
MMP2 P08253 7/20 0.46
MMP12 P39900 7/20 0.46
MMP8 P22894 5/20 0.46
MMP14 P50281 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP13 P45452 5/20 0.44
MMP3 P08254 1/20 0.44
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MMP1 P03956 3/20 0.42
MMP7 P09237 3/20 0.42
ACE P12821 2/20 0.42
METAP2 P50579 1/20 0.41
PLAU P00749 2/20 0.41
HPN P05981 2/20 0.41
ADAMTS4 O75173 1/20 0.41

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
SCHEMBL5191279 0.81 MMP9 (0.64) MMP9MMP2MMP12MMP8MMP14
SCHEMBL599969 0.81 MMP9 (0.64) MMP9MMP2MMP12MMP8MMP14
SCHEMBL8147112 0.77 SMN1; SMN2 (0.52) MMP9MMP2MMP12MMP8MMP14
SCHEMBL1403263 0.77 SMN1; SMN2 (0.52) MMP9MMP2MMP12MMP8MMP14
SCHEMBL7932963 0.76 SMN1; SMN2 (0.51) MMP9MMP2MMP12MMP8MMP14
SCHEMBL5524025 0.75 LMNA (0.52) CTSLCTSSCTSK
SCHEMBL6122905 0.74 BMP1 (0.45) MMP9MMP2MMP12MMP8MMP14
SCHEMBL31014184 0.74 SMN1; SMN2 (0.55) MMP9MMP2MMP12MMP8MMP14
SCHEMBL6061725 0.72 CTSL (0.51) CTSLCTSSCTSK
SCHEMBL5875648 0.72 SMN1; SMN2 (0.64) MMP9MMP2MMP12MMP8MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MMP9 95/4885MMP2 75/4885MMP12 225/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MMP9 95/4885MMP2 75/4885MMP12 225/4885

“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.