SCHEMBL7046958

SCHEMBL7046958

O=C(O)C(CC1CCCCC1)CP(=O)(O)CSc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.44
MMP13 P45452 4/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
ACP3 P15309 1/20 0.39
DPEP1 P16444 1/20 0.39
ATM Q13315 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP2 Q6P179 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP3 P08254 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 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
SCHEMBL7052614 0.89 METAP2 (0.41) MMP1MMP13NPC1ACP3DPEP1
SCHEMBL7050282 0.83 ACP3 (0.49) MMP1MMP13KMT2AACP3DPEP1
SCHEMBL7047072 0.82 RXFP1 (0.44) MMP1MMP13NPC1RAB9AKMT2A
SCHEMBL5053043 0.81 MMP1 (0.61) MMP1MMP13ATMANPEPERAP2
SCHEMBL7050270 0.77 ERAP2 (0.53) ANPEPERAP2
SCHEMBL7050048 0.76 ANPEP (0.46) MMP1MMP13ANPEPERAP2
SCHEMBL7051219 0.76 FOLH1 (0.41) MMP1
SCHEMBL9244187 0.74 MMP1 (0.41) MMP1MMP13KMT2AATM
SCHEMBL7049812 0.74 ERAP1 (0.49) MMP1MMP13ANPEPERAP2MMP3
SCHEMBL7049610 0.74 ALDH1A1 (0.39) MMP1MMP13NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US disclosed
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 US disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 US disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 MMP1 2/4885MMP13 14/4885NPC1 927/4885

“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.