SCHEMBL7054019

SCHEMBL7054019

CCOC(=O)C(CC1CCCCC1)CP(=O)(CSc1cccc2ccccc12)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.43
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
METAP2 P50579 2/20 0.36
METAP1 P53582 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
EPHX1 P07099 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
CTSS P25774 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL7051282 0.85 MAPT (0.41) ACP3ALDH1A1NPSR1PLA2G1BATG4B
SCHEMBL7049610 0.85 ALDH1A1 (0.39) ACP3ALDH1A1NPSR1PLA2G1BATG4B
SCHEMBL7244415 0.84 POLB (0.38) ALDH1A1L3MBTL1KDM4EMAPTMAPK1
SCHEMBL7049862 0.83 KMT2A (0.47) ACP3ALDH1A1NPSR1PLA2G1BATG4B
SCHEMBL7050180 0.83 HSD17B10 (0.43) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL7051256 0.83 PPARG (0.43) ACP3ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL7052110 0.80 HPGD (0.37) ALDH1A1METAP2L3MBTL1KDM4EHSD17B10
SCHEMBL7052124 0.79 EPHX2 (0.34) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL7050282 0.76 ACP3 (0.49) ACP3ALDH1A1METAP2METAP1MEN1
SCHEMBL9242478 0.75 MMP1 (0.38) ALDH1A1NPSR1METAP2TSHRKMT2A

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 ACP3 708/4885ALDH1A1 465/4885NPSR1 2293/4885

“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.