SCHEMBL4158161

SCHEMBL4158161

COC(=O)c1sc(-c2ccc(-c3cc4nc(C)ccn4n3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
PI4KB Q9UBF8 1/20 0.32
IKBKB O14920 1/20 0.32
SYK P43405 5/20 0.32
AVPR1B P47901 1/20 0.32
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL4158162 1.00 KDM4E (0.35) KDM4EHTTATMPI4KBIKBKB
SCHEMBL4155761 0.93 GRM5 (0.33) PI4KBSYKGRM5USP30
SCHEMBL4155763 0.93 GRM5 (0.33) PI4KBSYKGRM5USP30
SCHEMBL4147318 0.91 KDM4E (0.36) KDM4EHTTATMIKBKBSYK
SCHEMBL13852136 0.91 KDM4E (0.36) KDM4EHTTATMIKBKBSYK
SCHEMBL4139806 0.88 KDM4E (0.36) KDM4EHTTATMPI4KBIKBKB
SCHEMBL4139800 0.88 KDM4E (0.36) KDM4EHTTATMPI4KBIKBKB
SCHEMBL13852281 0.87 GRM5 (0.32) PI4KBSYKGRM5
SCHEMBL4143133 0.83 NR1I2 (0.31) USP30
SCHEMBL4143135 0.83 NR1I2 (0.31) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS KDM4E 794/4885HTT 3552/4885ATM 4348/4885

“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.