SCHEMBL2427754

SCHEMBL2427754

COC(=O)c1sc(I)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MAPT P10636 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
SCHEMBL2427752 1.00 KDM4E (0.33) KDM4EALDH1A1HTTATMTSHR
SCHEMBL2433831 0.88 POLB (0.32) KDM4EALDH1A1HTTATMKMT2A
SCHEMBL2433828 0.88 POLB (0.32) KDM4EALDH1A1HTTATMKMT2A
SCHEMBL2434814 0.88 KDM4E (0.32) KDM4EALDH1A1HTTATMTP53
SCHEMBL2434817 0.88 KDM4E (0.32) KDM4EALDH1A1HTTATMTP53
SCHEMBL4139437 0.87 KDM4E (0.36) KDM4EALDH1A1HTTATMTSHR
SCHEMBL4152499 0.87 NR1I2 (0.38)
SCHEMBL4152502 0.87 NR1I2 (0.38)
SCHEMBL4796290 0.87 KDM4E (0.31) KDM4EALDH1A1HTTATMTP53
SCHEMBL4153891 0.87 KDM4E (0.31) KDM4EHTTATM

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO disclosed
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO disclosed
WO-2008125599-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 WO disclosed
WO-2008125599-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 WO disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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 (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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 KDM4E 1120/4885ALDH1A1 860/4885HTT 3128/4885
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS KDM4E 794/4885ALDH1A1 1037/4885HTT 3552/4885
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS GOT1, RNASE1, SLC10A1 KDM4E 4110/4885ALDH1A1 276/4885HTT 1456/4885

“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.