Valine

Valine

SCHEMBL3663448

CC(C)[C@H](N)C(=O)O.COc1cc2sc(N)nc2cc1Br

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 8/20 0.56
SCD O00767 1/20 0.45
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.36
SCN4A P35499 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3663450 0.83 CYP3A4 (0.53) STING1SCDCYP3A4CYP1A2CYP2C19
SCHEMBL29513817 0.78 CYP3A4 (0.53) STING1SCDCYP3A4CYP1A2CYP2C19
SCHEMBL12235989 0.78 CYP3A4 (0.53) STING1SCDCYP3A4CYP1A2CYP2C19
SCHEMBL26985275 0.73 CYP3A4 (0.48) STING1CYP3A4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL21406026 0.73 STING1 (0.67) STING1SCDALDH1A1
SCHEMBL28486980 0.72 STING1 (0.66) STING1SCDALDH1A1
SCHEMBL21437296 0.72 STING1 (1.00) STING1SCD
SCHEMBL21437297 0.72 STING1 (1.00) STING1SCD
SCHEMBL9722790 0.72 CYP3A4 (0.59) STING1CYP3A4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL31114638 0.72 CYP3A4 (0.59) STING1CYP3A4CYP1A2CYP2C19SMN1; 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 STING1 1717/4885SCD 4380/4885CYP3A4 1308/4885

“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.