SCHEMBL4838987

SCHEMBL4838987

CCN(c1cc(-c2ccc(-c3cc4ncccn4n3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
USP30 Q70CQ3 2/20 0.34
SYK P43405 1/20 0.33
NR1I2 O75469 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4838993 1.00 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GUSP30SYK
Ammonia Solution, Strong SCHEMBL4156140 0.99 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GUSP30SYK
Ammonia Solution, Strong SCHEMBL4156138 0.99 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GUSP30SYK
SCHEMBL4155399 0.92 KDM4E (0.38) USP30SYKKDM4EALDH1A1TP53
SCHEMBL4155397 0.92 KDM4E (0.38) USP30SYKKDM4EALDH1A1TP53
SCHEMBL4140094 0.92 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYKNR1I2
SCHEMBL4140087 0.92 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYKNR1I2
SCHEMBL4823092 0.91 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYKNR1I2
SCHEMBL4789893 0.91 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYKNR1I2
SCHEMBL4789894 0.91 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYKNR1I2

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 4 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
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 CYP2E1 207/4885APOBEC3A 938/4885APOBEC3G 1542/4885

“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.