Sugi Predict

Sugi Predict / Compounds / SCHEMBL7050341

SCHEMBL7050341

SCHEMBL7050341

CCCC(C(=O)OCC)C(OCC)[PH](=O)CSc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ ANPEP P15144 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PLA2G2A P14555 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PLA2G10 O15496 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL7052159 0.88 POLB (0.40) CYP2C9GAAALDH1A1POLBMAPT
SCHEMBL7053042 0.82 PRNP (0.52) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL7244423 0.82 ALDH1A1 (0.36) GAAALDH1A1POLBMAPTLMNA
SCHEMBL7051228 0.77 PPARG (0.45) CYP3A4CYP2C9CYP2C19PPARGPPARA
SCHEMBL8764768 0.71 PRNP (0.51) GAAALDH1A1MAPTLMNAKDM4E
SCHEMBL7051218 0.71 POLB (0.31) POLB
SCHEMBL8529950 0.70 PRNP (0.40) CYP3A4CYP2C9CYP2C19ANPEPGAA
SCHEMBL9067733 0.70 CAPN1 (0.44) CYP3A4CYP2C9CYP2C19ANPEPGAA
SCHEMBL27041447 0.69 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19ANPEPGAA
SCHEMBL7438544 0.69 CYP26A1 (0.36) CYP3A4CYP2C9CYP2C19ANPEPGAA

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 CYP3A4 1675/4885CYP2C9 1112/4885CYP2C19 945/4885

“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.