Valine

Valine

SCHEMBL724587

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
KDM4E B2RXH2 2/20 0.38
PKM P14618 2/20 0.38
POLB P06746 4/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A3 P43003 4/20 0.36
SLC1A2 P43004 4/20 0.36
SLC1A1 P43005 4/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 2/20 0.35
METAP2 P50579 1/20 0.35
PTPRA P18433 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
Valine SCHEMBL4884024 0.87 SLC7A5 (0.44) SLC7A5KDM4EPKMPOLBSLC1A3
Valine SCHEMBL1842424 0.82 TDP1 (0.52) SLC7A5KDM4EPOLBSLC1A3SLC1A2
Valine SCHEMBL15208663 0.82 ALDH1A1 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL29650217 0.78 KDM4E (0.55) KDM4EPKMPOLBMEN1THRB
SCHEMBL23025 0.78 KDM4E (0.55) KDM4EPKMPOLBMEN1THRB
Valine SCHEMBL3646564 0.77 NOS3 (0.53) SLC7A5KDM4EPOLBSLC1A3SLC1A2
Valine SCHEMBL9359776 0.77 SLC7A5 (0.50) SLC7A5KDM4EPOLBKMT2ASLC1A3
Valine SCHEMBL4899677 0.76 SLC7A5 (0.48) SLC7A5KDM4EPOLBKMT2ASLC1A3
Valine SCHEMBL20476530 0.76 SLC7A5 (0.48) SLC7A5KDM4EPOLBSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL17129 0.76 KDM4E (0.53) KDM4EPKMPOLBMEN1THRB

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
US-8598154-B2 Pyridyl-amine fused azadecalin modulators CORCEPT THERAPEUTICS, INC. (US) 2013-12-03 US disclosed
EP-2609097-A1 PYRIDYL-AMINE FUSED AZADECALIN MODULATORS Corcept Therapeutics, Inc. (US) 2013-07-03 EP disclosed
US-20120220565-A1 PYRIDYL-AMINE FUSED AZADECALIN MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2012-08-30 US disclosed
WO-2012027702-A1 PYRIDYL-AMINE FUSED AZADECALIN MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2012-03-01 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-20120220565-A1 PYRIDYL-AMINE FUSED AZADECALIN MODULATORS NR3C1, NR3C2, NR5A2 SLC7A5 3702/4885KDM4E 574/4885PKM 3555/4885

“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.