SCHEMBL7047072

SCHEMBL7047072

O=C(O)C(CC1CCCCC1)CP(=O)(O)CSc1ccc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.44
PRNP P04156 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MMP1 P03956 6/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 2/20 0.43
MMP8 P22894 2/20 0.43
NPSR1 Q6W5P4 3/20 0.42
MAPK10 P53779 2/20 0.42
RAB9A P51151 2/20 0.41
MMP13 P45452 2/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 3/20 0.39
ACP3 P15309 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36

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 0.82 METAP2 (0.41) MMP1MMP13ACP3NPC1
SCHEMBL7046958 0.82 MMP1 (0.44) MMP1MMP2MMP3RAB9AMMP13
SCHEMBL7051208 0.81 RXFP1 (0.49) RXFP1PRNPKDM4EMMP1MMP2
SCHEMBL7048991 0.80 MMP1 (0.52) RXFP1PRNPKDM4EMMP1MMP2
SCHEMBL7049809 0.80 PRNP (0.48) RXFP1PRNPKDM4EMMP1MMP2
SCHEMBL7050282 0.80 ACP3 (0.49) MMP1MMP2MMP3MMP13ALDH1A1
SCHEMBL7048091 0.79 RXFP1 (0.47) RXFP1PRNPKDM4EMMP1MMP2
SCHEMBL7050067 0.78 RXFP1 (0.45) RXFP1PRNPKDM4EMMP1MMP2
SCHEMBL7049862 0.78 KMT2A (0.47) RXFP1PRNPKDM4EMMP1MMP2
SCHEMBL5053043 0.73 MMP1 (0.61) MMP1MMP2MMP3MMP13

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 RXFP1 738/4885PRNP 327/4885KDM4E 3133/4885

“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.