Valine

Valine

SCHEMBL4841645

CC(C)[C@H](N)C(=O)O.Nc1nccs1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
NOS1 P29475 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SLC7A5 Q01650 1/20 0.52
LMNA P02545 3/20 0.38
HSPA5 P11021 4/20 0.35
HSPA9 P38646 3/20 0.35
NR3C1 P04150 1/20 0.35
HSPA2 P54652 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRIK3 Q13003 1/20 0.35
GRIK4 Q16099 1/20 0.35
GRIK5 Q16478 1/20 0.35
FFAR2 O15552 3/20 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
Aminothiazole SCHEMBL1003511 0.79 ALDH1A1 (0.68) ALDH1A1TSHRNOS1HSD17B10LMNA
Aminothiazole SCHEMBL4466019 0.79 ALDH1A1 (0.68) ALDH1A1TSHRNOS1HSD17B10LMNA
Aminothiazole SCHEMBL23647332 0.79 NOS1 (0.75) ALDH1A1TSHRNOS1HSD17B10MEN1
Aminothiazole SCHEMBL5907075 0.77 ALDH1A1 (0.65) ALDH1A1TSHRNOS1HSD17B10LMNA
Aminothiazole SCHEMBL28215372 0.77 ALDH1A1 (0.65) ALDH1A1TSHRNOS1HSD17B10LMNA
Aminothiazole SCHEMBL28155507 0.77 ALDH1A1 (0.71) ALDH1A1TSHRNOS1HSD17B10LMNA
Aminothiazole SCHEMBL10585434 0.77 ALDH1A1 (0.71) ALDH1A1TSHRNOS1HSD17B10LMNA
Aminothiazole SCHEMBL27899272 0.77
Valine SCHEMBL1389041 0.77 SLC7A5 (0.58) SLC7A5LMNA
Aminothiazole SCHEMBL1241596 0.75 ALDH1A1 (0.75) ALDH1A1TSHRNOS1HSD17B10LMNA

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-7351727-B2 Inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
US-20050065198-A1 Inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2005-03-24 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-20050065198-A1 Inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B ALDH1A1 490/4885TSHR 3036/4885NOS1 277/4885

“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.