SCHEMBL3576557

SCHEMBL3576557

CNc1sccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.61
PTPRB P23467 1/20 0.61
PTPN6 P29350 1/20 0.61
ABCC1 P33527 2/20 0.53
ACLY P53396 1/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
NR4A1 P22736 1/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL27384808 0.82 MAPK10 (0.63) PTPN2PTPRBPTPN6MAPK10KDM4E
SCHEMBL19494280 0.82 PTK2 (0.68) MAPK10ALDH1A1MAPK1KMT2AMEN1
SCHEMBL19237020 0.81 PTPN2 (0.64) PTPN2PTPRBPTPN6ABCC1ACLY
SCHEMBL16838134 0.80 KMT2A (0.63) MAPK10KDM4EALDH1A1KMT2AMEN1
SCHEMBL1704195 0.80 PTK2 (0.71) PTPN2PTPRBPTPN6ABCC1ACLY
SCHEMBL12756123 0.79 PTPN2 (0.61) PTPN2PTPRBPTPN6ABCC1ACLY
SCHEMBL13764835 0.79 PTPN2 (0.72) PTPN2PTPRBPTPN6ABCC1ACLY
SCHEMBL25381542 0.79 PTPN2 (0.56) PTPN2PTPRBPTPN6ABCC1ACLY
SCHEMBL11866211 0.79 PTK2 (0.42) PTPN2PTPRBPTPN6ABCC1MAPK10
SCHEMBL23413590 0.77 ACLY (0.57) PTPN2PTPRBPTPN6ABCC1ACLY

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-09-07 US disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
US-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
EP-1853579-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-14 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2006085113-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-17 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 (3 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC PTPN2 3089/4885PTPRB 4635/4885PTPN6 4142/4885
US-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B1, HSD17B13 PTPN2 1631/4885PTPRB 1109/4885PTPN6 1501/4885
US-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists GPR84, GPR88, HCAR1 PTPN2 2379/4885PTPRB 3108/4885PTPN6 2501/4885

“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.