SCHEMBL4144142

SCHEMBL4144142

COC(=O)c1sc(-c2ccc(-c3cn4ccsc4n3)nc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 13/20 0.40
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 8/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
HTT P42858 1/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4144146 1.00 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13852134 0.93 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4152699 0.93 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13852155 0.92 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4148662 0.92 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4148668 0.92 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4143238 0.84 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4143244 0.84 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4140640 0.84 TP53 (0.43) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4140637 0.84 TP53 (0.43) TP53NPC1RAB9ASMN1; SMN2HPGD

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
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 TP53 1525/4885NPC1 1833/4885RAB9A 1920/4885

“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.