SCHEMBL4140544

SCHEMBL4140544

CC(C)N(c1cc(-c2ccc(-c3cn4cc(N)ccc4n3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
APP P05067 1/20 0.33
HPGD P15428 1/20 0.33
NR4A2 P43354 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
HPGDS O60760 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
FASN P49327 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4140546 1.00 KDM4E (0.35) KDM4EALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL4151925 0.92 NPC1 (0.40) KDM4EALDH1A1KMT2AAPPHPGD
SCHEMBL4151930 0.92 NPC1 (0.40) KDM4EALDH1A1KMT2AAPPHPGD
SCHEMBL4152130 0.88 PTGS1 (0.45) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4152135 0.88 PTGS1 (0.45) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL14042870 0.85 IKBKB (0.34) KDM4ERXFP1MAPT
SCHEMBL14521764 0.85 IKBKB (0.34) KDM4ERXFP1MAPT
SCHEMBL4143244 0.84 TP53 (0.46) ALDH1A1RXFP1HPGDNPC1RAB9A
SCHEMBL4143238 0.84 TP53 (0.46) ALDH1A1RXFP1HPGDNPC1RAB9A
SCHEMBL4139472 0.81 HPGD (0.42) KDM4EALDH1A1MEN1KMT2AHPGD

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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US claimed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP claimed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO claimed
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
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 794/4885ALDH1A1 1037/4885MEN1 4846/4885

“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.