SCHEMBL6481644

SCHEMBL6481644

COc1ccc([C@H]2CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MAOB P27338 3/20 0.50
KDM1A O60341 2/20 0.50
MAOA P21397 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TSHR P16473 1/20 0.50
HTR2C P28335 1/20 0.47
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP19A1 P11511 1/20 0.46
PTPN1 P18031 1/20 0.44

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
SCHEMBL937164 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL11892830 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL529044 0.86 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL4724585 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL10686166 0.84 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2CDRD2
SCHEMBL10686163 0.84 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2CDRD2
SCHEMBL8291267 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL10688281 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL10688286 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL13651792 0.83 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MAOBKDM1A

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
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 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-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 SLC6A2 4391/4885SLC6A4 2941/4885SLC6A3 3516/4885

“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.