Valine

Valine

SCHEMBL15057374

CC(C)[C@H](N)C(=O)O.Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAPT P10636 4/20 0.41
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ GRM8 O00222 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
4-Nitroaniline SCHEMBL29058965 0.84 ALDH1A1 (0.58) SLC7A5NPC1SMN1; SMN2CYP3A4MAPT
Nitrobenzene SCHEMBL9768008 0.80 ALDH1A1 (0.55) SLC7A5NPC1SMN1; SMN2SLC1A3SLC1A2
P-Nitrophenol SCHEMBL4805916 0.77 SLC1A3 (0.50) SLC7A5MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL7080519 0.77 NPC1 (0.46) NPC1SMN1; SMN2CYP3A4MAPTGRM8
Urea SCHEMBL3678424 0.77 SMN1; SMN2 (0.63) NPC1SMN1; SMN2CYP3A4MAPTTSHR
SCHEMBL65293 0.76 CYP19A1 (0.62) NPC1SMN1; SMN2CYP3A4MAPTTSHR
Valine SCHEMBL10510346 0.76 SLC1A3 (0.49) SLC7A5NPC1SMN1; SMN2MAPTSLC1A3
Phenylglycine SCHEMBL16340621 0.75 ALDH1A1 (0.45) NPC1SMN1; SMN2CYP3A4MAPTGRM8
Valine SCHEMBL8367874 0.74 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL1487681 0.74 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794621-B1 NOVEL ORGANOSILICA COMPOUNDS UNIV GENT (BE) 2018-09-26 — — EP disclosed
US-9181282-B2 Organosilica compounds UNIVERSITEIT GENT (BE) 2015-11-10 — — US disclosed
US-20150005525-A1 NOVEL ORAGNOSILICA COMPOUNDS UNIVERSITEIT GENT (BE) 2015-01-01 — — US disclosed
EP-2794621-A1 NOVEL ORGANOSILICA COMPOUNDS Universiteit Gent (BE) 2014-10-29 — — EP disclosed
WO-2013093022-A1 NOVEL ORGANOSILICA COMPOUNDS UNIVERSITEIT GENT (BE) 2013-06-27 — — 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-20150005525-A1 NOVEL ORAGNOSILICA COMPOUNDS ORC3, ORMDL3, OR10J3 SLC7A5 813/4885NPC1 2957/4885SMN1; SMN2 4780/4885

“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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