SCHEMBL4159892

SCHEMBL4159892

COC(=O)c1sccc1N(C(=O)c1ccc(Cl)cc1Cl)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ FLT1 P17948 2/20 0.41
▸ FLT4 P35916 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ MEN1 O00255 2/20 0.39

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
SCHEMBL4157913 0.83 FLT1 (0.39) MAPTRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL1961039 0.83 FLT1 (0.39) MAPTRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL2158238 0.80 MAPT (0.50) MAPTRAB9ANPC1NPSR1POLB
SCHEMBL4731813 0.79 CYP3A4 (0.45) MAPTRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL14223296 0.78 RAB9A (0.39) MAPTRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL1958399 0.78 FLT1 (0.35) MAPTRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL1960198 0.75 CACNA2D1 (0.45) MAPTRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL14043169 0.74 MAPT (0.44) MAPTRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL14223408 0.73 KMT2A (0.68) MAPTRAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL2158868 0.73 TSHR (0.43) MAPTRAB9ASMN1; SMN2ALDH1A1CYP3A4

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
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 — — US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 — — US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 — — US disclosed
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 — — WO disclosed
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 — — WO disclosed
WO-2008125599-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 — — WO disclosed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 — — WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 — — 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS MAPT 4610/4885RAB9A 1920/4885SMN1; SMN2 1628/4885

“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.

Send feedback