SCHEMBL4140637

SCHEMBL4140637

COC(=O)c1sc(-c2ccc(-c3cn4ccsc4n3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 13/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
HPGD P15428 2/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 6/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
DGAT1 O75907 1/20 0.36

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
SCHEMBL4140640 1.00 TP53 (0.43) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4142231 0.92 TP53 (0.43) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4142233 0.92 TP53 (0.43) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4152699 0.91 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13852134 0.91 TP53 (0.46) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4148173 0.88 FASN (0.42) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4148169 0.88 FASN (0.42) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13852253 0.87 TP53 (0.43) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4144142 0.84 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4144146 0.84 TP53 (0.40) 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 10 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
US-7511135-B2 Method for manufacture of ceftiofur LUPIN LIMITED (IN) 2009-03-31 US disclosed
US-20080207912-A1 Method for manufacture of ceftiofur LUPIN LIMITED 2008-08-28 US disclosed
EP-1556388-B1 A METHOD FOR MANUFACTURE OF CEFTIOFUR LUPIN LTD (IN) 2007-09-19 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
US-20060149054-A1 Method for manufacture of ceftiofur LUPIN LIMITED (IN) 2006-07-06 US disclosed
EP-1556388-A2 A METHOD FOR MANUFACTURE OF CEFTIOFUR Lupin Limited (IN) 2005-07-27 EP disclosed
WO-2004039811-A2 A METHOD FOR MANUFACTURE OF CEFTIOFUR LUPIN LIMITED (IN) 2004-05-13 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 (3 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-20080207912-A1 Method for manufacture of ceftiofur APEH, COASY, PCMT1 TP53 3356/4885NPC1 4411/4885RAB9A 2382/4885
US-20060149054-A1 Method for manufacture of ceftiofur APEH, COASY, PCMT1 TP53 3322/4885NPC1 4458/4885RAB9A 2355/4885
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.