Valine

Valine

SCHEMBL3076649

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

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.88
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
TP53 P04637 1/20 0.40
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
LAP3 P28838 1/20 0.38
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
LTA4H P09960 1/20 0.35
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35

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 SCHEMBL229819 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL10710877 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL2017287 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL229818 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL17113862 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL3486854 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL27597271 0.95 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL1813972 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL8516 0.94
Valine SCHEMBL288203 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004009625-A2 PEPTIDES AND PEPTIDE DERIVATIVES FOR THE TREATMENT OF α-SYNUCLEIN-RELATED DISEASES THE UNIVERSITY OF LANCASTER (GB) 2004-01-29 WO claimed
US-20240165257-A1 ANTI-GUCY2C ANTIBODY AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2024-05-23 US disclosed
WO-2024094688-A1 ANTI-GUCY2C ANTIBODY AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2024-05-10 WO disclosed
US-20220047644-A1 FIBROBLASTS FOR TREATMENT OF DEGENERATIVE DISC DISEASE FIBROBIOLOGICS, LLC 2022-02-17 US disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-09 US disclosed
EP-1879886-B1 Inhibitors of mitotic kinesins and their therapeutical use ARRAY BIOPHARMA INC (US) 2014-07-09 EP disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
EP-1879886-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-01-23 EP disclosed
WO-2006119146-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-09 WO disclosed
US-20060247178-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2006-11-02 US disclosed
EP-1493454-A9 BIOMATERIALS FOR NERVE RECONSTRUCTION AND PROCESS FOR PRODUCING THE SAME Japan Science and Technology Agency (JP) 2005-03-23 EP disclosed
WO-2004009625-A2 PEPTIDES AND PEPTIDE DERIVATIVES FOR THE TREATMENT OF α-SYNUCLEIN-RELATED DISEASES THE UNIVERSITY OF LANCASTER (GB) 2004-01-29 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 (6 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SLC7A5 4056/4885SLC1A3 3325/4885SLC1A2 3522/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SLC7A5 4194/4885SLC1A3 2870/4885SLC1A2 2687/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SLC7A5 4194/4885SLC1A3 2870/4885SLC1A2 2687/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 SLC7A5 4056/4885SLC1A3 3325/4885SLC1A2 3522/4885
US-20060247178-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 SLC7A5 4056/4885SLC1A3 3325/4885SLC1A2 3522/4885
US-20240165257-A1 ANTI-GUCY2C ANTIBODY AND USES THEREOF GUCY1B2, MTX2, GUCY1A2 SLC7A5 1909/4885SLC1A3 1666/4885SLC1A2 1922/4885

“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.