Valine

Valine

SCHEMBL3631165

CC(C)[C@H](N)C(=O)O.NC(=O)c1ccc2c3cccc4c(-c5cccc6c([N+](=O)[O-])cccc56)ccc(c5ccc(C(N)=O)c1c25)c43

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.34
▸ TLR9 Q9NR96 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL27986562 0.76 KMT2A (0.39) GLAMEN1KMT2ANPC1RAB9A
Valine SCHEMBL7961940 0.75 CTSD (0.48) GLATSHRMEN1KMT2ANPC1
SCHEMBL4693548 0.71 TDP1 (0.53) TDP1TSHRMEN1KMT2ANPC1
SCHEMBL28814631 0.70 KMT2A (0.35) GLAMEN1KMT2AALDH1A1SMN1; SMN2
Valine SCHEMBL7169984 0.69 TSHR (0.53) GLATDP1TSHRMEN1KMT2A
SCHEMBL28645723 0.68 CDK2 (0.49) TDP1TSHRMEN1KMT2ANPC1
SCHEMBL8117346 0.68 TDP1 (0.64) TDP1TSHRMEN1KMT2APOLB
SCHEMBL3574701 0.67 TDP1 (0.50) TDP1MEN1KMT2ANPC1RAB9A
Valine SCHEMBL10510465 0.66 SLC7A5 (0.41) GLATDP1TSHRADAMTS4L3MBTL1
Valine SCHEMBL28726 0.65 SLC7A5 (0.54) KMT2AALDH1A1CYP1A2

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-7858636-B2 Use as coloring in coatings, printing inks and plastics, for producing aqueous polymer dispersions which absorb in the near infrared region, for producing markings which absorb infrared light and are invisible to the human eye, as infrared absorbers for heat management, active components in photovoltaics BASF AKTIENGESELLSCHAFT (DE) 2010-12-28 — — US disclosed
US-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides BASF A.KTIENGESELLSCHAFT (DE) 2008-08-07 — — 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-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides CRYAA, UACA, CYP3A43 GLA 730/4885TDP1 2601/4885TSHR 58/4885

“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.

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