Sugi Predict

Sugi Predict / Compounds / Valine

Valine

Valine

SCHEMBL4884024

CC(C)[C@H](N)C(=O)O.NS(=O)(=O)c1ccccn1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.44
▸ SLC1A3 P43003 5/20 0.37
▸ SLC1A2 P43004 5/20 0.37
▸ SLC1A1 P43005 5/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTPRA P18433 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
Valine SCHEMBL724587 0.87 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL232618 0.79 KDM4E (0.50) CYP1A2CA1CA2CA9CA12
SCHEMBL29757501 0.79 KDM4E (0.50) CYP1A2CA1CA2CA9CA12
Valine SCHEMBL3646564 0.78 NOS3 (0.53) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Valine SCHEMBL9359776 0.78 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Benzenesulfonamide SCHEMBL2733118 0.78 CA2 (0.57) SLC7A5SLC1A3SLC1A2SLC1A1CA1
Valine SCHEMBL20476530 0.77 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Valine SCHEMBL4899677 0.77 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Valine SCHEMBL1842424 0.77 TDP1 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL9217970 0.77 KDM4E (0.48) CYP1A2CA1CA2CA9CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1860941-B1 BIPHENYL-N-(4-PYRIDYL) METHYLSUFONAMIDES BASF SE (DE) 2008-11-12 — — EP disclosed
US-20080161187-A1 Controlling phytopathogenic harmful fungi and harmful arthropodes; combating arthropodal pestsprotecting crops, seeds and non-living materials from infestation by arthropodal pests; insecticides, pesticides, fungicides; miticides; agriculture; veterinary medicine BASF AKTIENGESELLSCHAFT (DE) 2008-07-03 — — US disclosed
EP-1860941-A1 BIPHENYL-N-(4-PYRIDYL) METHYLSUFONAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-12-05 — — EP disclosed
WO-2006097489-A1 BIPHENYL-N-(4-PYRIDYL) METHYLSUFONAMIDES BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 — — 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 (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-20080161187-A1 Controlling phytopathogenic harmful fungi and harmful arthropodes; combating arthropodal pestsprotecting crops, seeds and non-living materials from infestation by arthropodal pests; insecticides, pesticides, fungicides; miticides; agriculture; veterinary medicine PTPN21, PTPN1, PTPN14 SLC7A5 4022/4885SLC1A3 4534/4885SLC1A2 3896/4885

“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.