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SCHEMBL2435744

SCHEMBL2435744

COC(=O)c1sc(-c2ccc(NC(=O)c3ccccn3)nc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ TP53 P04637 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PKM P14618 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GRM4 Q14833 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL2435749 1.00 RAB9A (0.41) RAB9ANPC1TP53ALDH1A1PKM
SCHEMBL2432736 0.92 RAB9A (0.42) RAB9ANPC1TP53ALDH1A1PKM
SCHEMBL2432741 0.92 RAB9A (0.42) RAB9ANPC1TP53ALDH1A1PKM
SCHEMBL4341749 0.92 KMT2A (0.42) RAB9ANPC1TP53ALDH1A1PKM
SCHEMBL4341753 0.92 KMT2A (0.42) RAB9ANPC1TP53ALDH1A1PKM
SCHEMBL2432670 0.91 PTPN1 (0.46) RAB9ANPC1TP53ALDH1A1PKM
SCHEMBL2432673 0.91 PTPN1 (0.46) RAB9ANPC1TP53ALDH1A1PKM
SCHEMBL2431840 0.90 KDM4E (0.34) RAB9ANPC1TP53PKMKMT2A
SCHEMBL2431858 0.90 KDM4E (0.34) RAB9ANPC1TP53PKMKMT2A
SCHEMBL2431208 0.87 MAPT (0.36) RAB9ANPC1TP53ALDH1A1PKM

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 7 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 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
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 RAB9A 2071/4885NPC1 1898/4885TP53 916/4885

“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.