SCHEMBL2431361

SCHEMBL2431361

CC1CCC(C(=O)N(CC2CC2)c2cc(-c3ccc(NC(=O)c4ccn(C)n4)cc3)sc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK1 Q13464 1/20 0.36
MMP13 P45452 1/20 0.36
CYP2E1 P05181 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
P2RX3 P56373 1/20 0.33
S1PR1 P21453 1/20 0.33
NR1I2 O75469 2/20 0.32
CBLB Q13191 1/20 0.32
POLB P06746 1/20 0.32
EPHX2 P34913 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
SCHEMBL2431360 1.00 NPC1 (0.39) NPC1RAB9APKMMEN1TP53
SCHEMBL2433860 0.92 RAB9A (0.40) NPC1RAB9APKMMEN1TP53
SCHEMBL2433922 0.92 RAB9A (0.40) NPC1RAB9APKMMEN1TP53
SCHEMBL2431715 0.89 AXL (0.38) NPC1RAB9APKMKMT2AROCK1
SCHEMBL2431720 0.89 AXL (0.38) NPC1RAB9APKMKMT2AROCK1
SCHEMBL2431367 0.87 S1PR1 (0.37) CYP2E1P2RX3S1PR1
SCHEMBL2431370 0.87 S1PR1 (0.37) CYP2E1P2RX3S1PR1
SCHEMBL2429921 0.86 GRM4 (0.41) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL2429926 0.86 GRM4 (0.41) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL2432890 0.86 NPC1 (0.38) NPC1RAB9APKMMEN1TP53

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
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP claimed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US claimed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 NPC1 1898/4885RAB9A 2071/4885PKM 3681/4885

“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.