SCHEMBL877951

SCHEMBL877951

O=C(O)C(CCS)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
CPN1 P15169 2/20 0.47
CPB2 Q96IY4 2/20 0.47
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
FOLH1 Q04609 1/20 0.44
TBXAS1 P24557 2/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL877720 0.89 PTGS2 (0.50) CYP2C19CPN1CPB2LMNAFOLH1
SCHEMBL30371912 0.87 CYP2C19 (0.61) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL2352370 0.83 CPN1 (0.65) CYP2C19CPN1CPB2CYP2D6SRC
SCHEMBL21986999 0.83 CPN1 (0.65) CYP2C19CPN1CPB2CYP2D6SRC
SCHEMBL28864201 0.82 L3MBTL1 (0.52) LMNAMAPK1
SCHEMBL7049913 0.82 TBXAS1 (0.41) CYP2C19CPN1CPB2CYP2D6LMNA
SCHEMBL7899585 0.81 CYP2C19 (0.55) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL819393 0.81 CYP2C19 (0.55) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL14360139 0.81 TBXAS1 (0.60) CYP2C19CPN1CPB2CYP2D6SRC
SCHEMBL7909074 0.81 CYP2C19 (0.55) CYP2C19CYP2D6SRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619177-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038943-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
EP-2619177-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038943-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 US 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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 CYP2C19 3044/4885CPN1 230/4885CPB2 303/4885

“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.