SCHEMBL2334758

SCHEMBL2334758

COCCCN1C(=O)c2ccccc2C(C(=O)O)C1c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.52
HTT P42858 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2334585 0.95 FFAR1 (0.54) FFAR1HTTALDH1A1TSHRMAPT
SCHEMBL2377516 0.85 ALDH1A1 (0.53) FFAR1HTTALDH1A1TSHRMAPT
SCHEMBL2331641 0.83 ALDH1A1 (0.54) FFAR1HTTALDH1A1TSHRMAPT
SCHEMBL2333958 0.82 ALDH1A1 (0.70) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL3898416 0.82 FFAR1 (0.52) FFAR1HTTALDH1A1MAPT
SCHEMBL2334153 0.82 ALDH1A1 (0.57) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL2334732 0.82 GAA (0.58) FFAR1HTTALDH1A1TSHRMAPT
SCHEMBL2335428 0.80 ALDH1A1 (0.51) FFAR1HTTALDH1A1TSHRMAPT
SCHEMBL2338413 0.80 ALDH1A1 (0.61) FFAR1HTTALDH1A1TSHRMAPT
SCHEMBL2336723 0.80 CYP2C9 (0.52) FFAR1HTTALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 FFAR1 4099/4885HTT 3763/4885ALDH1A1 2613/4885

“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.