Sugi Predict

Sugi Predict / Compounds / Valine

Valine

Valine

SCHEMBL723520

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

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC1A2 P43004 10/20 0.34
▸ SLC1A3 P43003 9/20 0.34
▸ SLC1A1 P43005 7/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ MAPT P10636 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ CASR P41180 1/20 0.30

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 SCHEMBL9382950 0.88 SLC7A5 (0.62) SLC7A5ALDH1A1SLC1A2SLC1A3SLC1A1
Valine SCHEMBL27873291 0.84 SLC7A5 (0.79) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL247489 0.84 SLC7A5 (0.79) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL247488 0.84 SLC7A5 (0.79) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL30591962 0.82 SLC7A5 (0.56) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL30592077 0.82 SLC7A5 (0.56) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL17874440 0.82 SLC7A5 (0.75) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL28174037 0.82 SLC7A5 (0.75) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL9376703 0.82 SLC7A5 (0.75) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL28174038 0.82 SLC7A5 (0.75) SLC7A5SLC1A2SLC1A3SLC1A1DPP4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 — — EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 — — US disclosed
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 — — US disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 — — WO disclosed
EP-2376473-A1 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Canada Inc. (CA) 2011-10-19 — — EP disclosed
US-20110237622-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-09-29 — — US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 — — US disclosed
EP-2300453-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-03-30 — — EP disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 — — US disclosed
EP-2274295-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-01-19 — — EP disclosed
EP-0788490-B1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2000-07-05 — — EP disclosed
EP-0975588-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2000-02-02 — — EP disclosed
US-6020371-A VIRICIDES; PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-02-01 — — US disclosed
WO-1998043950-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 — — WO disclosed
EP-0788490-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 — — EP disclosed
EP-0788497-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 — — EP disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 — — US disclosed
US-5527827-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-06-18 — — US disclosed
WO-1996013491-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 — — WO disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 — — 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 (4 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 SLC7A5 2991/4885ALDH1A1 512/4885L3MBTL1 4827/4885
US-20110237622-A1 RENIN INHIBITORS REN, ACE, ACE2 SLC7A5 4061/4885ALDH1A1 856/4885L3MBTL1 4872/4885
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 SLC7A5 2623/4885ALDH1A1 2132/4885L3MBTL1 3567/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 SLC7A5 3752/4885ALDH1A1 397/4885L3MBTL1 4837/4885

“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.