SCHEMBL4157936

SCHEMBL4157936

CC(C)N(c1cc(-c2ccc(-c3cc4ncccn4n3)s2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NR1I2 O75469 2/20 0.31
CYP2E1 P05181 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
SCHEMBL4143061 0.93 KDM4E (0.33) APOBEC3AAPOBEC3G
SCHEMBL4148693 0.92 APOBEC3A (0.35) APOBEC3AAPOBEC3GNR1I2
SCHEMBL4148687 0.92 APOBEC3A (0.35) APOBEC3AAPOBEC3GNR1I2
Ammonia Solution, Strong SCHEMBL4153549 0.91 APOBEC3A (0.34) APOBEC3AAPOBEC3GNR1I2
Ammonia Solution, Strong SCHEMBL4153546 0.91 APOBEC3A (0.34) APOBEC3AAPOBEC3GNR1I2
SCHEMBL4162057 0.89 APOBEC3A (0.33) APOBEC3AAPOBEC3G
SCHEMBL4162063 0.89 APOBEC3A (0.33) APOBEC3AAPOBEC3G
SCHEMBL4140062 0.86 KDM4E (0.38)
SCHEMBL4815926 0.86 CYP2E1 (0.36) APOBEC3AAPOBEC3GNR1I2CYP2E1
SCHEMBL4140069 0.86 KDM4E (0.38)

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 7 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
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
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 APOBEC3A 938/4885APOBEC3G 1542/4885NR1I2 769/4885

“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.