SCHEMBL7051778

SCHEMBL7051778

CCOC(=O)C(CCCc1ccccc1)C(COS(=O)(=O)c1ccc(C)cc1OCC)[PH2]=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.35
ALOX5 P09917 4/20 0.35
PPARG P37231 4/20 0.35
NPSR1 Q6W5P4 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 5/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
AKR1C3 P42330 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.32
MMP2 P08253 1/20 0.32
BMP1 P13497 1/20 0.32

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
SCHEMBL7052395 0.95 NPSR1 (0.38) PTGESALOX5PPARGNPSR1SMN1; SMN2
SCHEMBL7050904 0.89 ALDH1A1 (0.37) NPSR1KMT2AMEN1LMNATHRB
SCHEMBL7052663 0.82 TAS1R3 (0.32) NPSR1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL9067912 0.78 ALDH1A1 (0.41) SMN1; SMN2POLBLMNATHRBMAPT
SCHEMBL7048016 0.78 TSHR (0.40) SMN1; SMN2KMT2APOLBMEN1LMNA
SCHEMBL9067411 0.75 SMN1; SMN2 (0.42) NPSR1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL9068099 0.74 SMN1; SMN2 (0.42) ALOX5SMN1; SMN2LMNATDP1MAPT
SCHEMBL7047039 0.73 KMT2A (0.39) PTGESALOX5PPARGNPSR1SMN1; SMN2
SCHEMBL9067046 0.70 SMN1; SMN2 (0.41) PTGESALOX5PPARGSMN1; SMN2KMT2A
SCHEMBL7052126 0.69 KMT2A (0.36) PTGESALOX5PPARGNPSR1SMN1; 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 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 PTGES 362/4885ALOX5 1132/4885PPARG 3903/4885

“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.