SCHEMBL5735236

SCHEMBL5735236

CC(C)(C)c1ccc(-c2csc(C=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
PGR P06401 1/20 0.43
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5735069 0.82 KIF11 (0.47) KIF11PGR
SCHEMBL2321226 0.79 PGR (0.49) PGRKDM4EALDH1A1LMNAMEN1
SCHEMBL11765304 0.79 ALDH1A1 (0.32) PGRALDH1A1TSHRTP53NPC1
SCHEMBL30104097 0.78 PGR (0.44) PGR
SCHEMBL6057498 0.77 PGR (0.43) KIF11PGRKDM4EALDH1A1HSD17B10
SCHEMBL4478459 0.76 KIF11 (0.50) KIF11KDM4EALDH1A1LMNAKMT2A
SCHEMBL2320780 0.76 PGR (0.42) PGRKDM4EALDH1A1LMNAMEN1
SCHEMBL12177559 0.76 ALAD (0.53) PGRKDM4EALDH1A1MEN1KMT2A
SCHEMBL6451713 0.75 MAPT (0.51) PGRALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL379478 0.75 HDAC6 (0.44) PGRKDM4EALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244446-B1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2006-11-02 EP disclosed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
US-6858630-B2 Naphthimidazole derivatives and their use as thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2005-02-22 US disclosed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP disclosed
US-20030083361-A1 Naphtho(1,2-d)imidazole derivatives; treating thrombocytopenia SMITHKLINE BEECHAM CORPORATION 2003-05-01 US disclosed
EP-1244446-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1244446-A1 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2002-10-02 EP disclosed
WO-2001039773-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-07 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 (2 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-20030083361-A1 Naphtho(1,2-d)imidazole derivatives; treating thrombocytopenia MPL, THPO, TPO KIF11 2203/4885PGR 1849/4885KDM4E 4286/4885
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 KIF11 1517/4885PGR 1144/4885KDM4E 2797/4885

“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.