SCHEMBL2434442

SCHEMBL2434442

COC(=O)c1sc(-c2ccc(NC(=O)c3cnccn3)cc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 7/20 0.41
KMT2A Q03164 2/20 0.41
JAK1 P23458 1/20 0.40
NPC1 O15118 8/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
GRM4 Q14833 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
SCHEMBL2434440 1.00 RAB9A (0.44) RAB9ASMN1; SMN2KMT2AJAK1NPC1
SCHEMBL2430828 0.92 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2KMT2AJAK1NPC1
SCHEMBL2430826 0.92 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2KMT2AJAK1NPC1
SCHEMBL4341749 0.92 KMT2A (0.42) RAB9ASMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL4341753 0.92 KMT2A (0.42) RAB9ASMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL2432670 0.91 PTPN1 (0.46) RAB9ASMN1; SMN2JAK1NPC1HPGD
SCHEMBL2432673 0.91 PTPN1 (0.46) RAB9ASMN1; SMN2JAK1NPC1HPGD
SCHEMBL2431091 0.90 GRM4 (0.39) RAB9ANPC1HPGDTP53MAPT
SCHEMBL2431089 0.90 GRM4 (0.39) RAB9ANPC1HPGDTP53MAPT
SCHEMBL2431283 0.88 GRM4 (0.38) RAB9ANPC1HPGDTP53MAPT

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 2 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

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 2071/4885SMN1; SMN2 1772/4885KMT2A 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.