Valine

Valine

SCHEMBL6447749

CC(C)[C@H](N)C(=O)O.O=C(O)CNC(=O)N1CCOCC1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
SLC7A5 Q01650 1/20 0.42
CTSS P25774 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RBP4 P02753 1/20 0.36

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
SCHEMBL6444661 0.83 HTT (0.63) HTTSMN1; SMN2PKMCTSSMEN1
SCHEMBL6442796 0.75 HTT (0.50) HTTSMN1; SMN2PKMCTSSNPC1
SCHEMBL6442801 0.75 HTT (0.50) HTTSMN1; SMN2PKMCTSSNPC1
Valine SCHEMBL27915555 0.74 SLC7A5 (0.56) SMN1; SMN2PKMSLC7A5RAB9AALDH1A1
SCHEMBL13584805 0.73 HTT (0.54) HTTSMN1; SMN2PKMCTSSMEN1
SCHEMBL13584807 0.73 HTT (0.54) HTTSMN1; SMN2PKMCTSSMEN1
Valine SCHEMBL8711824 0.71 SLC7A5 (0.75) SMN1; SMN2PKMSLC7A5ALDH1A1
SCHEMBL1769490 0.71 HTT (0.53) HTTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL1769493 0.71 HTT (0.53) HTTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL13754285 0.71 HTT (0.65) HTTSMN1; SMN2PKMCTSSNPC1

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
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 HTT 55/4885SMN1; SMN2 1200/4885PKM 2587/4885

“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.