SCHEMBL4677501

SCHEMBL4677501

[CH2]c1ccccc1Sc1ccccc1CO

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.57
SLC6A4 P31645 8/20 0.47
SLC6A2 P23975 5/20 0.43
LDHA P00338 1/20 0.39
SLC6A3 Q01959 2/20 0.38
IFNAR1 P17181 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPY1R P25929 1/20 0.37
MAPK1 P28482 1/20 0.37
NPY2R P49146 1/20 0.37
P4HB P07237 1/20 0.35
CYP2A6 P11509 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL4442278 0.87 APOBEC3G (0.73) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
SCHEMBL5520107 0.80 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3IFNAR1LMNA
SCHEMBL7559665 0.78 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
Bipenamol SCHEMBL29444593 0.78 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
Bipenamol SCHEMBL91233 0.78 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
SCHEMBL4448364 0.78 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
SCHEMBL73812 0.78 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
Bipenamol SCHEMBL30791275 0.76 APOBEC3G (0.57) APOBEC3GSLC6A4SLC6A2LDHASLC6A3
SCHEMBL13579946 0.76 APOBEC3G (0.57) APOBEC3GSLC6A4SLC6A2SLC6A3IFNAR1
Bipenamol SCHEMBL636892 0.76 APOBEC3G (0.57) APOBEC3GSLC6A4SLC6A2LDHASLC6A3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US claimed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO claimed
EP-0800513-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1997-10-15 EP claimed
US-5605932-A Opiate receptor ligands CHIRON CORPORATION (US) 1997-02-25 US claimed
US-5536868-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US claimed
WO-1996020921-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1996-07-11 WO claimed
US-5481020-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-01-02 US claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
EP-0800513-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1997-10-15 EP disclosed
US-5605932-A Opiate receptor ligands CHIRON CORPORATION (US) 1997-02-25 US disclosed
US-5536868-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1996020921-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1996-07-11 WO disclosed
US-5481020-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-01-02 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 (2 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 APOBEC3G 3248/4885SLC6A4 2474/4885SLC6A2 3462/4885
US-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 APOBEC3G 990/4885SLC6A4 3251/4885SLC6A2 2019/4885

“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.