SCHEMBL4148408

SCHEMBL4148408

COC(=O)c1sc(-c2ccc(-c3cc4nccc(N)n4n3)cc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.39
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
IKBKB O14920 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL13852137 1.00 PDE4D (0.39) PDE4DKDM4ENPC1MAPTCASP3
SCHEMBL4159899 0.92 UBA1 (0.34) PDE4DKDM4ENPC1MAPTCASP3
SCHEMBL4159905 0.92 UBA1 (0.34) PDE4DKDM4ENPC1MAPTCASP3
SCHEMBL4147221 0.92 PDE4D (0.34) PDE4DNPC1MAPTRAB9A
SCHEMBL4147225 0.92 PDE4D (0.34) PDE4DNPC1MAPTRAB9A
SCHEMBL4147180 0.89 KDM4E (0.44) KDM4ENPC1MAPTCASP3RAB9A
SCHEMBL13852135 0.89 KDM4E (0.44) KDM4ENPC1MAPTCASP3RAB9A
SCHEMBL4795648 0.86 ALDH1A1 (0.37) PDE4DKDM4ENPC1MAPTCASP3
SCHEMBL4795652 0.86 ALDH1A1 (0.37) PDE4DKDM4ENPC1MAPTCASP3
SCHEMBL4140062 0.85 KDM4E (0.38) PDE4DKDM4ENPC1MAPTCASP3

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 3 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

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 PDE4D 3323/4885KDM4E 794/4885NPC1 1833/4885

“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.