SCHEMBL4154245

SCHEMBL4154245

CCOC(=O)C(=CNc1ccccc1F)C(=O)OCC

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.74
GAA P10253 2/20 0.74
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
STAT1 P42224 1/20 0.49

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
SCHEMBL9506562 0.90 DHODH (0.60) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL9506566 0.90 DHODH (0.60) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL31373277 0.86 CYP3A4 (0.64) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL29145961 0.85 CYP3A4 (0.62) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10864509 0.85 DHODH (1.00) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10860150 0.84 DHODH (0.76) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10860162 0.84 DHODH (0.76) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL2485251 0.83 MEN1 (0.59) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL7432042 0.83 MEN1 (0.59) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10864416 0.82 DHODH (0.74) DHODHGAACYP3A4CYP2D6MEN1

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-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
WO-2012158435-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION ZHOU HAN-JIE (US) 2012-11-22 WO disclosed
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 WO disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 EP 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 (2 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-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION USP24, USP36, USP39 DHODH 2396/4885GAA 3203/4885CYP3A4 4033/4885
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 DHODH 361/4885GAA 1404/4885CYP3A4 77/4885

“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.