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SCHEMBL2431352

SCHEMBL2431352

Cc1nn(C)cc1C(=O)Nc1ccc(-c2cc(N(C(=O)[C@H]3CC[C@H](C)CC3)C(C)C)c(C(=O)O)s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NAMPT P43490 1/20 0.36
▸ GAA P10253 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ NR1I2 O75469 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32

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
SCHEMBL2431356 1.00 RAB9A (0.40) RAB9ANPC1NAMPTGAAALDH1A1
SCHEMBL2429418 0.87 DHX9 (0.40) ALDH1A1MAPTKDRDGAT1
SCHEMBL2436794 0.87 DHX9 (0.40) ALDH1A1MAPTKDRDGAT1
SCHEMBL2433420 0.86 NPC1 (0.41) RAB9ANPC1SMN1; SMN2DGAT1
SCHEMBL2433418 0.86 NPC1 (0.41) RAB9ANPC1SMN1; SMN2DGAT1
SCHEMBL2432890 0.86 NPC1 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2433991 0.86 NPC1 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2430687 0.85 ITGB1 (0.37) RAB9ANPC1ALDH1A1MAPTDGAT1
SCHEMBL2428593 0.85 KDR (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2430566 0.85 DGAT1 (0.33) DGAT1ATM

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-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

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 1898/4885NAMPT 3959/4885

“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.