SCHEMBL2779682

SCHEMBL2779682

O=C(O)Cc1ccsc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRC P08575 2/20 0.42
AKR1B1 P15121 1/20 0.42
AXL P30530 1/20 0.42
LMNA P02545 1/20 0.42
ABCC1 P33527 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.40
PTPRG P23470 2/20 0.40
GPR35 Q9HC97 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
GRIK1 P39086 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL11443115 0.86 PTPN2 (0.42) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL10964741 0.84 FABP4 (0.48) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL10964733 0.84 PTPRC (0.44) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL18070616 0.84 MAPK8 (0.46) AKR1B1AXLLMNAABCC1NPSR1
SCHEMBL11630927 0.84 PTPRC (0.41) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL27580290 0.84 LMNA (0.47) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL1401564 0.81 GPR35 (0.44) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL2065269 0.81 ABCC1 (0.50) PTPN2PTPN1PTPRCAXLLMNA
SCHEMBL11535432 0.80 KMT2A (0.46) AKR1B1LMNAKMT2ATP53ALOX15
SCHEMBL4732259 0.79 PTPN2 (0.43) PTPN2PTPN1PTPRCAXLLMNA

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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
US-4257947-A INTERMEDIATES FOR ANTIBACTERIAL CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1981-03-24 US disclosed
US-4166816-A CYCLIZATION SMITHKLINE CORPORATION (US) 1979-09-04 US disclosed
US-4103086-A 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives SMITHKLINE CORPORATION (US) 1978-07-25 US disclosed
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 US disclosed
US-4066664-A Intermediates for preparing α-carboxy-α-(3-thienyl)penicillin and cephalosporin derivatives RECHERCHE ET INDUSTRIE THERAPEUTIQUES (BE) 1978-01-03 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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 PTPN2 2605/4885PTPN1 2333/4885PTPRC 1865/4885

“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.