SCHEMBL2428609

SCHEMBL2428609

CC(C)N(c1cc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.42
PTPN11 Q06124 1/20 0.42
DGAT1 O75907 1/20 0.42
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 2/20 0.40
MITF O75030 1/20 0.39
ACKR3 P25106 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTR1F P30939 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL2432620 1.00 PTPN2 (0.42) PTPN2PTPN11DGAT1KDM4EPTPN1
SCHEMBL2430785 0.92 MEN1 (0.48) DGAT1KMT2AMEN1POLBMAPT
SCHEMBL2430782 0.92 MEN1 (0.48) DGAT1KMT2AMEN1POLBMAPT
SCHEMBL2494789 0.92 KDM4E (0.47) PTPN2PTPN11DGAT1KDM4EPTPN1
SCHEMBL2494792 0.92 KDM4E (0.47) PTPN2PTPN11DGAT1KDM4EPTPN1
SCHEMBL2158018 0.90 IKBKB (0.44) KDM4EPTPN1MAPTNPC1RAB9A
SCHEMBL2433060 0.90 DGAT1 (0.45) DGAT1ACKR3KMT2AMEN1POLB
SCHEMBL2433058 0.90 DGAT1 (0.45) DGAT1ACKR3KMT2AMEN1POLB
SCHEMBL2437167 0.89 RAB9A (0.40) DGAT1KDM4EKMT2AMEN1POLB
SCHEMBL2428384 0.89 RAB9A (0.40) DGAT1KDM4EKMT2AMEN1POLB

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
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
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
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 PTPN2 417/4885PTPN11 805/4885DGAT1 4164/4885

“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.