SCHEMBL2436587

SCHEMBL2436587

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4ccccc4F)cc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
DGAT1 O75907 1/20 0.38
BTK Q06187 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PTPRC P08575 2/20 0.37
CTSL P07711 1/20 0.37
PTPN1 P18031 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37

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
SCHEMBL2432221 1.00 JAK1 (0.40) JAK1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL2434524 0.92 MEN1 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2432567 0.92 MEN1 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2430782 0.88 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2430785 0.88 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2435714 0.87 DGAT1 (0.38) MEN1KMT2ADGAT1
SCHEMBL2431767 0.87 DGAT1 (0.38) MEN1KMT2ADGAT1
SCHEMBL2432620 0.87 PTPN2 (0.42) MEN1KMT2ANPC1RAB9ADGAT1
SCHEMBL2428609 0.87 PTPN2 (0.42) MEN1KMT2ANPC1RAB9ADGAT1
SCHEMBL2430687 0.86 ITGB1 (0.37) NPC1RAB9ADGAT1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP claimed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US claimed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP claimed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO claimed
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
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 JAK1 1069/4885MEN1 4775/4885KMT2A 2967/4885

“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.