Valine

Valine

SCHEMBL3661498

CC(C)[C@H](N)C(=O)O.CCNC(=O)Nc1nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2s1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL12997528 0.90 NPC1 (0.49) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
Valine SCHEMBL3664153 0.82 ABL1 (0.48) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3656875 0.78 NPC1 (0.47) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3659750 0.73 NPC1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL6067821 0.73 ABL1 (0.58) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL13798160 0.71 NPC1 (0.59) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL13798157 0.70 NPC1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3661653 0.70 NPC1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL6068056 0.70 NPC1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
Valine SCHEMBL3667457 0.70 NPC1 (0.42) ABL1NPC1RAB9ASMN1; SMN2

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-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK ABL1 89/4885NPC1 2672/4885RAB9A 2295/4885

“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.